SCHEMBL7003680

SCHEMBL7003680

CC(C)c1cc(C(N)=O)c(NC(=O)c2ccccc2F)s1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
MAPT P10636 3/20 0.63
MAPK1 P28482 1/20 0.54
GFER P55789 1/20 0.54
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
IKBKB O14920 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL16263740 0.84 ALDH1A1 (0.54) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL19494363 0.82 NPC1 (0.52) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL19494348 0.81 NPC1 (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7007163 0.81 MAPT (0.65) KDM4EMAPTMAPK1GFERNPC1
SCHEMBL19494506 0.81 NPC1 (0.49) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL16246509 0.81 NPC1 (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7676311 0.81 KDM4E (0.58) KDM4EMAPTMAPK1GFERNPC1
SCHEMBL7005044 0.80 MEN1 (0.59) KDM4EMAPTMAPK1GFERNPC1
SCHEMBL16246356 0.80 NPC1 (0.48) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL19494877 0.80 NPC1 (0.50) KDM4EMAPTNPC1RAB9AALDH1A1

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