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Sugi Predict / Compounds / SCHEMBL18635934

SCHEMBL18635934

SCHEMBL18635934

COC(=O)c1ccc(CN(Cc2ccccc2F)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)C(NC(=O)CN(C)C(=O)OC(C)(C)C)C(C)(C)SC)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 18/20 0.41
▸ BIRC2 Q13490 17/20 0.41
▸ BIRC3 Q13489 15/20 0.41
▸ TDP1 Q9NUW8 1/20 0.36
▸ TACR1 P25103 1/20 0.35

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
SCHEMBL18635962 0.94 XIAP (0.41) XIAPBIRC2BIRC3TDP1TACR1
SCHEMBL18635814 0.82 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL18635985 0.82 XIAP (0.45) XIAPBIRC2BIRC3
SCHEMBL17024532 0.79 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL17024531 0.79 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18673958 0.79 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18635933 0.79 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18635839 0.77 XIAP (0.45) XIAPBIRC2BIRC3
SCHEMBL17024508 0.74 XIAP (0.49) XIAPBIRC2BIRC3
SCHEMBL18635963 0.74 XIAP (0.49) 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