SCHEMBL7003164

SCHEMBL7003164

COc1cc(OC)cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.70
RAB9A P51151 6/20 0.62
GRIN2C Q14957 1/20 0.60
ALDH1A1 P00352 8/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 4/20 0.55
MAPT P10636 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 2/20 0.53
APOBEC3G Q9HC16 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NFKB1 P19838 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL8288778 0.87 FLT3 (0.73) FLT3RAB9AGRIN2CALDH1A1NPC1
SCHEMBL7003132 0.82 ALDH1A1 (0.64) FLT3RAB9AGRIN2CALDH1A1L3MBTL1
SCHEMBL7002672 0.82 FLT3 (1.00) FLT3RAB9AGRIN2CALDH1A1L3MBTL1
SCHEMBL7003277 0.79 FLT3 (0.69) FLT3RAB9AGRIN2CALDH1A1L3MBTL1
SCHEMBL6998742 0.78 FLT3 (0.83) FLT3RAB9AGRIN2CALDH1A1L3MBTL1
SCHEMBL6997928 0.77 GRIN2C (0.67) FLT3RAB9AGRIN2CALDH1A1NPC1
SCHEMBL6996786 0.76 FLT3 (0.70) FLT3RAB9AGRIN2CALDH1A1L3MBTL1
SCHEMBL7004549 0.75 FLT3 (0.68) FLT3RAB9AGRIN2CALDH1A1NPC1
SCHEMBL7902809 0.75 GRIN2C (1.00) FLT3RAB9AGRIN2CALDH1A1NPC1
SCHEMBL7001753 0.74 FLT3 (0.69) FLT3RAB9AGRIN2CALDH1A1NPC1

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