SCHEMBL7003277

SCHEMBL7003277

COc1ccc(OC)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.69
ALDH1A1 P00352 8/20 0.51
MAPT P10636 7/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GRIN2C Q14957 1/20 0.51
MAPK10 P53779 1/20 0.51
KMT2A Q03164 5/20 0.49

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
SCHEMBL7001753 0.88 FLT3 (0.69) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7002672 0.82 FLT3 (1.00) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8288778 0.82 FLT3 (0.73) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7003164 0.79 FLT3 (0.70) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6996786 0.79 FLT3 (0.70) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6998742 0.78 FLT3 (0.83) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8288650 0.74 ALDH1A1 (0.68) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4154766 0.73 KMT2A (0.79) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6999632 0.73 RAB9A (0.62) FLT3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7673789 0.73 ALDH1A1 (0.62) FLT3ALDH1A1MAPTRAB9ASMN1; 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