SCHEMBL7005070

SCHEMBL7005070

Cc1ccc(CC(=O)Nc2sc(C(C)C)cc2C(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.63
MAPK1 P28482 1/20 0.53
GFER P55789 1/20 0.53
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL24489072 0.88 MAPK1 (0.51) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL7003921 0.87 MAPK8 (0.67) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL24489006 0.85 MAPK1 (0.51) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL6999680 0.84 MAPK1 (0.52) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL7670579 0.82 MAPK8 (0.63) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL7002102 0.81 MAPK8 (0.62) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL7005053 0.79 MAPT (0.57) MAPK1GFERMAPTKDM4EHPGD
SCHEMBL7003289 0.79 MAPT (0.57) MAPK1GFERMAPTKDM4EHPGD
SCHEMBL6996789 0.78 RAB9A (0.60) MAPK8MAPK1GFERMAPTKDM4E
SCHEMBL7002626 0.76 MAPK1 (0.57) MAPK8MAPK1GFERMAPTKDM4E

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