SCHEMBL20034574

SCHEMBL20034574

COC1=C(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)CC4=C(C)CCC=C4)nn3)s2)C=CCC1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19920197 0.94 GLS (0.62) GLS
SCHEMBL19920250 0.91 GLS (0.55) GLS
SCHEMBL19920311 0.89 GLS (0.58) GLS
SCHEMBL19920263 0.89 GLS (0.57) GLS
SCHEMBL19920260 0.89 GLS (0.74) GLS
SCHEMBL19920425 0.87 GLS (0.72) GLS
SCHEMBL19920428 0.79 GLS (0.74) GLS
SCHEMBL19920429 0.79 GLS (0.58) GLS
SCHEMBL19920315 0.79 GLS (0.74) GLS
SCHEMBL19920377 0.75 GLS (0.74) GLS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 — — US disclosed
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