SCHEMBL7002046

SCHEMBL7002046

CC(C)c1cc(C(N)=O)c(NC(=O)CCC2CCCC2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
GFER P55789 1/20 0.62
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 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
SCHEMBL7003097 0.88 MAPK1 (0.65) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL7672432 0.78 MAPK1 (0.93) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL7002052 0.78 MAPK1 (0.54) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL7003529 0.77 MAPK1 (0.53) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL6996789 0.75 RAB9A (0.60) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL5836009 0.72 NPC1 (0.61) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL7005070 0.72 MAPK8 (0.63) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL16387376 0.72 MAPK1 (0.61) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL6999680 0.71 MAPK1 (0.52) MAPK1GFERNPC1RAB9AKDM4E
SCHEMBL5835894 0.71 NPC1 (0.63) NPC1RAB9APOLBALDH1A1MEN1

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