SCHEMBL20034419

SCHEMBL20034419

C=CC(C)CC(=O)Nc1nnc(CCSCc2nnc(NC(=O)C(O)C(=C)C=C(C)C)s2)s1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.51

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
SCHEMBL20034420 0.88 GLS (0.55) GLS
SCHEMBL20034389 0.85 GLS (0.58) GLS
SCHEMBL19920118 0.82 GLS (0.57) GLS
SCHEMBL20034353 0.82 GLS (0.56) GLS
SCHEMBL14986989 0.69 GLS (1.00) GLS
SCHEMBL19754336 0.65 GLS (0.77) GLS
SCHEMBL15042300 0.65 GLS (0.73) GLS
SCHEMBL16305181 0.65 GLS (0.89) GLS
SCHEMBL18122469 0.65 GLS (0.70) GLS
SCHEMBL14987534 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
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed