SCHEMBL20034436

SCHEMBL20034436

BC(C)(C)C(C)(C)C(=O)Nc1nnc(CCSCCC(=C)SC(=C)NC(=O)C2(C(C)(C)F)CC2)s1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.39
KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL20034403 0.75 GLS (0.48) GLSKAT8
SCHEMBL15043787 0.69 GLS (0.57) GLS
SCHEMBL14987548 0.66 GLS (0.62) GLS
SCHEMBL20034437 0.66 GLS (0.49) GLSKAT8
SCHEMBL20034496 0.65 GLS (0.54) GLSKAT8
SCHEMBL20034327 0.64 GLS (0.49) GLSKAT8
SCHEMBL14987021 0.62 GLS (0.42) GLS
SCHEMBL14987005 0.61 GLS (0.54) GLS
SCHEMBL19920325 0.61 GLS (0.68) GLS
SCHEMBL14987158 0.60 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