SCHEMBL7004718

SCHEMBL7004718

CC(C)c1cc(C(N)=O)c(NC(=O)CCc2cccnc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.53
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PSMB8 P28062 1/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.46
NAMPT P43490 2/20 0.43
TNKS2 Q9H2K2 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL6996789 0.87 RAB9A (0.60) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL7000998 0.75 KDM4E (0.46) KDM4EMAPTNPC1RAB9AMAPK1
SCHEMBL7676514 0.75 KDM4E (0.46) KDM4EMAPTNPC1RAB9AMAPK1
SCHEMBL7003921 0.75 MAPK8 (0.67) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL7002052 0.74 MAPK1 (0.54) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7005070 0.73 MAPK8 (0.63) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL7003529 0.73 MAPK1 (0.53) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL6999680 0.72 MAPK1 (0.52) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL24489006 0.71 MAPK1 (0.51) MAPK8KDM4EMAPTNPC1RAB9A
SCHEMBL24489072 0.71 MAPK1 (0.51) MAPK8KDM4EMAPTNPC1RAB9A

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