SCHEMBL7001753

SCHEMBL7001753

COc1ccc(Cl)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.69
ALDH1A1 P00352 6/20 0.57
MAPT P10636 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HPGD P15428 4/20 0.53
LMNA P02545 3/20 0.53
MCL1 Q07820 1/20 0.53
KCNMA1 Q12791 4/20 0.53
MEN1 O00255 3/20 0.51

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
SCHEMBL7003277 0.88 FLT3 (0.69) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7673789 0.85 ALDH1A1 (0.62) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL6999632 0.83 RAB9A (0.62) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL6998742 0.83 FLT3 (0.83) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7002672 0.82 FLT3 (1.00) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL6996786 0.79 FLT3 (0.70) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL4138685 0.78 MAPT (0.75) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7003132 0.75 ALDH1A1 (0.64) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL7002469 0.75 ALDH1A1 (0.60) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL8288650 0.74 ALDH1A1 (0.68) FLT3ALDH1A1MAPTSMN1; SMN2RAB9A

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