SCHEMBL20034524

SCHEMBL20034524

COC(=O)NC(C)c1cccc(CC(O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.84

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
SCHEMBL21466334 0.93 GLS (0.83) GLS
SCHEMBL15042387 0.91 GLS (1.00) GLS
SCHEMBL14987349 0.91 GLS (1.00) GLS
SCHEMBL19920110 0.90 GLS (0.83) GLS
SCHEMBL22623416 0.87 GLS (0.83) GLS
SCHEMBL21466330 0.87 GLS (0.81) GLS
SCHEMBL14987711 0.85 GLS (1.00) GLS
SCHEMBL19920396 0.85 GLS (0.84) GLS
SCHEMBL15043829 0.85 GLS (1.00) GLS
SCHEMBL15042473 0.85 GLS (1.00) 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