April 2, 2024ACS Chemical BiologyOpen Access

Enhancing the Small-Scale Screenable Biological Space beyond Known Chemogenomics Libraries with Gray Chemical Matter─Compounds with Novel Mechanisms from High-Throughput Screening Profiles

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Authors

JTJason R. ThomasNovartis (Switzerland)CSClaude SheltonNovartis (United States)JMJason MurphyRed Cross University College of Nursing

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Implication

Cheminformatics profiling demonstrates selective compound chemotypes with novel targets in cell-based assays, highlighting expanded mechanistic space for phenotypic screening.

Key Points

Mining high-throughput screening data identifies selective chemotypes with novel mechanisms of action, expanding target diversity beyond standard chemogenomics libraries.
Cellular profiling with Cell Painting, DRUG-seq, and chemical proteomics confirms persistent structure activity relationships alongside a notable bias toward novel protein targets.
Public release of curated PubChem BioAssay compounds supports collaborative phenotypic assays, enabling broader mechanistic exploration in resource-constrained cellular screens.

Cite This Study

Thomas et al. (2024) studied this question.

synapsesocial.com/papers/68e70b2bb6db6435876849b8 https://doi.org/10.1021/acschembio.3c00737

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Implication

Cheminformatics profiling demonstrates selective compound chemotypes with novel targets in cell-based assays, highlighting expanded mechanistic space for phenotypic screening.

Enhancing the Small-Scale Screenable Biological Space beyond Known Chemogenomics Libraries with Gray Chemical Matter─Compounds with Novel Mechanisms from High-Throughput Screening Profiles

Discussion

Member takes

Implication

Key Points

Cite This Study

Enhancing the Small-Scale Screenable Biological Space beyond Known Chemogenomics Libraries with Gray Chemical Matter─Compounds with Novel Mechanisms from High-Throughput Screening Profiles

Discussion

Member takes

Implication

Key Points

Cite This Study

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Also Consider