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SCHEMBL18635985

SCHEMBL18635985

COC(=O)c1ccc(CN(Cc2cccc(OC)c2)C(=O)C2Cc3ccccc3CN2C(=O)C(NC(=O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 19/20 0.45
▸ BIRC2 Q13490 18/20 0.45
▸ BIRC3 Q13489 16/20 0.45
▸ CFTR P13569 1/20 0.37

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
SCHEMBL18635839 0.95 XIAP (0.45) XIAPBIRC2BIRC3CFTR
SCHEMBL18635814 0.89 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL18635823 0.83 CFTR (0.42) XIAPBIRC2BIRC3CFTR
SCHEMBL18635934 0.82 XIAP (0.41) XIAPBIRC2BIRC3
SCHEMBL18635996 0.80 XIAP (0.48) XIAPBIRC2BIRC3
SCHEMBL17024602 0.79 XIAP (0.58) XIAPBIRC2BIRC3
SCHEMBL17024601 0.79 XIAP (0.58) XIAPBIRC2BIRC3
SCHEMBL17024537 0.78 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL17024538 0.78 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL17024590 0.78 XIAP (0.60) XIAPBIRC2BIRC3

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-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 — — EP disclosed