SCHEMBL21369059

SCHEMBL21369059

COc1ccc2c(c1)CC(C(=O)Nc1nnc(CCCCc3nnc(NC4OC4C4Cc5cc(OC)ccc5O4)s3)s1)O2

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 17/20 0.81
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL14987536 0.90 GLS (1.00) GLSALDH1A1MAPTNPSR1
SCHEMBL18137164 0.85 GLS (0.89) GLSALDH1A1MAPTNPSR1
SCHEMBL14987538 0.82 GLS (1.00) GLS
SCHEMBL21369060 0.82 GLS (0.79) GLS
SCHEMBL14987277 0.76 GLS (1.00) GLSALDH1A1MAPT
SCHEMBL14987545 0.76 GLS (1.00) GLSALDH1A1MAPT
SCHEMBL14987416 0.74 GLS (1.00) GLSALDH1A1MAPT
SCHEMBL22031630 0.73 GLS (0.79) GLS
SCHEMBL21369062 0.68 GLS (0.81) GLSALDH1A1MAPT
SCHEMBL14987539 0.68 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
EP-2782570-B1 HETEROCYCLIC INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES INC (US) 2019-09-18 — — EP disclosed
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