SCHEMBL7003097

SCHEMBL7003097

CC(C)c1cc(C(N)=O)c(NC(=O)CC2CCCC2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
GFER P55789 1/20 0.65
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
AAK1 Q2M2I8 2/20 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
SCHEMBL7002046 0.88 MAPK1 (0.62) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7672432 0.80 MAPK1 (0.93) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7002072 0.75 KDM4E (0.66) MAPTKDM4EKMT2AMEN1HPGD
SCHEMBL7002052 0.75 MAPK1 (0.54) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7003529 0.74 MAPK1 (0.53) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7005070 0.74 MAPK8 (0.63) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL7674136 0.74 MAPK1 (0.43) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL16387376 0.73 MAPK1 (0.61) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL6999680 0.73 MAPK1 (0.52) MAPK1GFERMAPTKDM4ENPC1
SCHEMBL24489072 0.72 MAPK1 (0.51) MAPK1GFERMAPTKDM4ENPC1

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