SCHEMBL7002052

SCHEMBL7002052

CC(C)c1cc(C(N)=O)c(NC(=O)CCNC(N)=O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
IKBKB O14920 5/20 0.42
LDHA P00338 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL7003529 0.81 MAPK1 (0.53) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL6996789 0.79 RAB9A (0.60) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL7002046 0.78 MAPK1 (0.62) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL7005070 0.76 MAPK8 (0.63) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL16387376 0.75 MAPK1 (0.61) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL6999680 0.75 MAPK1 (0.52) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL7003097 0.75 MAPK1 (0.65) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL24489006 0.74 MAPK1 (0.51) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL24489072 0.74 MAPK1 (0.51) MAPK1GFERKDM4EMAPTALDH1A1
SCHEMBL7002102 0.74 MAPK8 (0.62) MAPK1GFERKDM4EMAPTALDH1A1

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