SCHEMBL6996789

SCHEMBL6996789

CC(C)c1cc(C(N)=O)c(NC(=O)CCc2ccccc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 5/20 0.60
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
FLT3 P36888 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPK8 P45983 1/20 0.47
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK10 P53779 1/20 0.46

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
SCHEMBL7004718 0.87 MAPK8 (0.53) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL24489002 0.81 ALDH1A1 (0.65) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7003921 0.80 MAPK8 (0.67) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7002052 0.79 MAPK1 (0.54) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7003529 0.78 MAPK1 (0.53) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7005070 0.78 MAPK8 (0.63) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7670579 0.78 MAPK8 (0.63) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL6999680 0.77 MAPK1 (0.52) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL7003372 0.77 MAPK1 (0.54) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL24489072 0.76 MAPK1 (0.51) RAB9ANPC1MAPTKDM4EMAPK1

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