SCHEMBL7001709

SCHEMBL7001709

CC(C)c1cc(C(N)=O)c(NC(=O)C=Cc2c[nH]cn2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
GFER P55789 2/20 0.47
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
FLT3 P36888 1/20 0.34
HSD17B10 Q99714 3/20 0.31
IKBKB O14920 1/20 0.31
USP2 O75604 2/20 0.31
ALOX15 P16050 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7669658 0.77 MAPK1 (0.49) MAPK1GFERMAPTKDM4EALDH1A1
SCHEMBL6999315 0.77 MAPK1 (0.49) MAPK1GFERMAPTKDM4EALDH1A1
SCHEMBL7673871 0.77 KDM4E (0.51) MAPK1GFERMAPTKDM4EALDH1A1
SCHEMBL7673876 0.77 KDM4E (0.51) MAPK1GFERMAPTKDM4EALDH1A1
SCHEMBL7000998 0.74 KDM4E (0.46) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7676514 0.74 KDM4E (0.46) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL2998692 0.70 ALDH1A1 (0.41) MAPK1ALDH1A1MEN1KMT2AHPGD
SCHEMBL16387376 0.69 MAPK1 (0.61) MAPK1GFERMAPTKDM4EALDH1A1
SCHEMBL27803091 0.68 MAP3K7 (0.38) MEN1KMT2A
SCHEMBL30399406 0.68 SMN1; SMN2 (0.48) MAPK1KDM4EALDH1A1MEN1KMT2A

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