SCHEMBL7003989

SCHEMBL7003989

CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(O)cc2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
GFER P55789 2/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 1/20 0.50
KDR P35968 1/20 0.44
NQO2 P16083 1/20 0.42
MAPK8 P45983 1/20 0.42
FLT3 P36888 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7676311 0.88 KDM4E (0.58) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL7003497 0.85 MAPK1 (0.52) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL6998760 0.84 MAPK1 (0.54) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL7002626 0.82 MAPK1 (0.57) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL7005044 0.80 MEN1 (0.59) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL7005053 0.79 MAPT (0.57) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL29578864 0.78 MAPT (0.61) MAPK1MAPTKDM4EMEN1ALDH1A1
SCHEMBL6994736 0.77 KDM4E (0.61) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL16387376 0.77 MAPK1 (0.61) MAPK1GFERMAPTKDM4EMEN1
SCHEMBL6998767 0.77 KDM4E (0.59) MAPK1GFERMAPTKDM4EMEN1

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