SCHEMBL6998767

SCHEMBL6998767

CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(C#N)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
GRM5 P41594 1/20 0.47
MAPK8 P45983 1/20 0.46
IKBKB O14920 4/20 0.45
GPR139 Q6DWJ6 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL7003497 0.87 MAPK1 (0.52) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL7005044 0.82 MEN1 (0.59) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL6510833 0.81 IKBKB (0.53) MEN1KMT2AGRM5MAPK8IKBKB
SCHEMBL6998760 0.77 MAPK1 (0.54) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL7003989 0.77 MAPK1 (0.56) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL16246232 0.77 CFTR (0.58) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL5837262 0.76 CCNE1 (0.67) ALDH1A1SMN1; SMN2GRM5IRAK4PDE10A
SCHEMBL6994736 0.76 KDM4E (0.61) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL7676311 0.76 KDM4E (0.58) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL7002626 0.75 MAPK1 (0.57) KDM4EMAPTMEN1NPC1ALDH1A1

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