SCHEMBL7003055

SCHEMBL7003055

Cc1sc(NC(=O)CCCC(=O)c2ccccc2)c(C(N)=O)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AIP O00170 1/20 0.74
SGTA O43765 1/20 0.74
TOMM70 O94826 1/20 0.74
STIP1 P31948 1/20 0.74
PPP5C P53041 1/20 0.74
FKBP4 Q02790 1/20 0.74
PPID Q08752 1/20 0.74
FKBP5 Q13451 1/20 0.74
FKBP8 Q14318 1/20 0.74
TOMM34 Q15785 1/20 0.74
DNAJC7 Q99615 1/20 0.74
AIPL1 Q9NZN9 1/20 0.74
STUB1 Q9UNE7 1/20 0.74
ALDH1A1 P00352 14/20 0.61
LMNA P02545 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPT P10636 5/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 2/20 0.58

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
SCHEMBL7003174 0.76 ALDH1A1 (0.72) AIPSGTATOMM70STIP1PPP5C
SCHEMBL569976 0.75 ALDH1A1 (0.82) AIPSGTATOMM70STIP1PPP5C
SCHEMBL31541275 0.72 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL7005515 0.71 L3MBTL1 (0.65) AIPSGTATOMM70STIP1PPP5C
SCHEMBL10042805 0.71 LMNA (0.74) AIPSGTATOMM70STIP1PPP5C
SCHEMBL18180597 0.71 L3MBTL1 (0.66) AIPSGTATOMM70STIP1PPP5C
SCHEMBL7002920 0.71 AIP (0.70) AIPSGTATOMM70STIP1PPP5C
SCHEMBL14825129 0.71 ALDH1A1 (0.64) AIPSGTATOMM70STIP1PPP5C
SCHEMBL13126361 0.71 MAPK8 (0.65) AIPSGTATOMM70STIP1PPP5C
SCHEMBL13126363 0.71 MAPK8 (1.00) AIPSGTATOMM70STIP1PPP5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed