SCHEMBL6996786

SCHEMBL6996786

COc1cccc(OC)c1C(=O)Nc1sc(C)c(C)c1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.70
ALDH1A1 P00352 8/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 3/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPK10 P53779 1/20 0.60
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
KDM4E B2RXH2 3/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRIN2C Q14957 1/20 0.56
KMT2A Q03164 4/20 0.55

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
SCHEMBL7002672 0.82 FLT3 (1.00) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL6997315 0.82 ALDH1A1 (0.60) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7003934 0.81 ALDH1A1 (0.70) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7005515 0.80 L3MBTL1 (0.65) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7001753 0.79 FLT3 (0.69) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7003277 0.79 FLT3 (0.69) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL8288778 0.79 FLT3 (0.73) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL6998742 0.78 FLT3 (0.83) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL4140802 0.77 KMT2A (0.56) FLT3ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL7003164 0.76 FLT3 (0.70) FLT3ALDH1A1RAB9ASMN1; SMN2TP53

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