SCHEMBL18799786

SCHEMBL18799786

COC(=O)c1ccc(C[C@H](NC(=O)C(N)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 4/20 0.52
TAOK1 Q7L7X3 4/20 0.50
TAOK3 Q9H2K8 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL18337978 1.00 XIAP (0.52) XIAPTAOK1TAOK3L3MBTL1KMT2A
SCHEMBL16392446 1.00 XIAP (0.52) XIAPTAOK1TAOK3L3MBTL1KMT2A
SCHEMBL18337854 0.86 XIAP (0.56) XIAPTAOK1TAOK3L3MBTL1KMT2A
SCHEMBL18799816 0.86 XIAP (0.69) XIAP
SCHEMBL16392442 0.86 XIAP (0.56) XIAPTAOK1TAOK3L3MBTL1KMT2A
SCHEMBL16392432 0.86 XIAP (0.69) XIAP
Hydrochloric Acid SCHEMBL18338007 0.86 XIAP (0.53) XIAPTAOK1TAOK3KMT2AMEN1
SCHEMBL16392362 0.85 XIAP (0.56) XIAPTAOK1TAOK3L3MBTL1KMT2A
SCHEMBL16370583 0.84 KMT2A (0.55) TAOK1TAOK3L3MBTL1KMT2AMEN1
SCHEMBL16371380 0.84 KMT2A (0.55) TAOK1TAOK3L3MBTL1KMT2AMEN1

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-9637518-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed