SCHEMBL19919992

SCHEMBL19919992

CC1C=C(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)C[C@@H](O)C(=O)O)s3)s2)C=C(F)C1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.62

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
SCHEMBL22623506 0.84 GLS (0.44) GLS
SCHEMBL19919994 0.83 GLS (0.59) GLS
SCHEMBL15042446 0.79 GLS (1.00) GLS
SCHEMBL21368693 0.74 GLS (0.72) GLS
SCHEMBL22623415 0.73 GLS (0.46) GLS
SCHEMBL15727776 0.67 GLS (0.76) GLS
SCHEMBL14987279 0.65 GLS (1.00) GLS
SCHEMBL19920091 0.64 GLS (0.45) GLS
SCHEMBL15727760 0.64 GLS (0.76) GLS
SCHEMBL14987454 0.64 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