SCHEMBL6997928

SCHEMBL6997928

Cc1sc(NC(=O)c2ccc(OC(C)C)cc2)c(C(N)=O)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2C Q14957 2/20 0.67
FLT3 P36888 2/20 0.63
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
ALDH1A1 P00352 10/20 0.55
HPGD P15428 6/20 0.55
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK10 P53779 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 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) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7902809 0.81 GRIN2C (1.00) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL6999456 0.80 GRIN2C (0.79) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7002672 0.78 FLT3 (1.00) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7003164 0.77 FLT3 (0.70) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7004549 0.76 FLT3 (0.68) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7003132 0.75 ALDH1A1 (0.64) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL6998742 0.74 FLT3 (0.83) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL7003277 0.72 FLT3 (0.69) GRIN2CFLT3RAB9ANPC1ALDH1A1
SCHEMBL8290727 0.72 NPC1 (0.70) GRIN2CFLT3RAB9ANPC1ALDH1A1

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