SCHEMBL19920110

SCHEMBL19920110

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

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.83

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
SCHEMBL22623416 0.97 GLS (0.83) GLS
SCHEMBL21466334 0.92 GLS (0.83) GLS
SCHEMBL14987705 0.91 GLS (1.00) GLS
SCHEMBL14987355 0.91 GLS (1.00) GLS
SCHEMBL22623550 0.91 GLS (0.83) GLS
SCHEMBL20034524 0.90 GLS (0.84) GLS
SCHEMBL21466330 0.88 GLS (0.81) GLS
SCHEMBL21368949 0.86 GLS (0.79) GLS
SCHEMBL20034544 0.85 GLS (0.80) GLS
SCHEMBL14987699 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
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed