SCHEMBL5732124

SCHEMBL5732124

COC(=O)c1cc(C2CCN(OC(=O)OC(C)(C)C)CC2)sc1NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
REV1 Q9UBZ9 3/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
NPSR1 Q6W5P4 1/20 0.31
OPRK1 P41145 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL27693406 0.91 REV1 (0.35) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5449859 0.85 EED (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5729820 0.83 MAPT (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5439719 0.79 REV1 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5728106 0.77 EED (0.31) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL27712946 0.73 ALDH1A1 (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL5441982 0.68 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL23412814 0.67 KDM4E (0.50) REV1RXFP1KDM4ELMNANPSR1
SCHEMBL578700 0.67 EPHX1 (0.43) NPC1RAB9AMAPT
SCHEMBL14764299 0.65 DDB1 (0.41) KDM4EMAPTTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694665-A2 SUBSTITUTED THIOPHENES AiCuris GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2005063734-A2 SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2005-07-14 WO disclosed