SCHEMBL7003497

SCHEMBL7003497

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
NPC1 O15118 4/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.46
PKM P14618 1/20 0.45
MAPK8 P45983 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
KDR P35968 1/20 0.41
IKBKB O14920 1/20 0.40

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
SCHEMBL6998767 0.87 KDM4E (0.59) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL7003989 0.85 MAPK1 (0.56) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL7676311 0.84 KDM4E (0.58) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL6998760 0.80 MAPK1 (0.54) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL6505096 0.79 IKBKB (0.47) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL7002626 0.78 MAPK1 (0.57) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL7005044 0.76 MEN1 (0.59) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL16261379 0.75 CFTR (0.64) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL7005053 0.75 MAPT (0.57) MAPK1GFERKDM4EMAPTMEN1
SCHEMBL6994736 0.73 KDM4E (0.61) MAPK1GFERKDM4EMAPTMEN1

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