SCHEMBL7003174

SCHEMBL7003174

Cc1sc(NC(=O)CCC(=O)c2cccs2)c(C(N)=O)c1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
RAB9A P51151 6/20 0.72
HPGD P15428 5/20 0.72
HSD17B10 Q99714 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
TP53 P04637 1/20 0.72
MAPK10 P53779 1/20 0.72
AIP O00170 1/20 0.62
SGTA O43765 1/20 0.62
TOMM70 O94826 1/20 0.62
STIP1 P31948 1/20 0.62
PPP5C P53041 1/20 0.62
FKBP4 Q02790 1/20 0.62
PPID Q08752 1/20 0.62
FKBP5 Q13451 1/20 0.62
FKBP8 Q14318 1/20 0.62
TOMM34 Q15785 1/20 0.62
DNAJC7 Q99615 1/20 0.62
AIPL1 Q9NZN9 1/20 0.62
STUB1 Q9UNE7 1/20 0.62

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
SCHEMBL7669581 0.77 MAPT (0.62) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL7003055 0.76 AIP (0.74) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL352556 0.72 ALDH1A1 (0.72) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL18180597 0.71 L3MBTL1 (0.66) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL10144040 0.71 ALDH1A1 (0.61) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL7002920 0.71 AIP (0.70) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL20620075 0.71 ALDH1A1 (0.76) ALDH1A1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL2216212 0.71 ALDH1A1 (1.00) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL11542756 0.70 HDAC1 (0.79) ALDH1A1RAB9AHPGDMEN1KMT2A
SCHEMBL5188799 0.70 ALDH1A1 (0.81) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2

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