SCHEMBL7002102

SCHEMBL7002102

CC(C)c1cc(C(N)=O)c(NC(=O)Cc2cccs2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.62
TP53 P04637 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
BLM P54132 2/20 0.49
MAPK10 P53779 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
POLB P06746 6/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
PSMD14 O00487 1/20 0.48

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
SCHEMBL7005070 0.81 MAPK8 (0.63) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL7670579 0.80 MAPK8 (0.63) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL7003921 0.80 MAPK8 (0.67) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL6999680 0.80 MAPK1 (0.52) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL24489072 0.79 MAPK1 (0.51) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL24489006 0.79 MAPK1 (0.51) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL24489005 0.78 ALDH1A1 (0.62) MAPK8MAPTKDM4EMEN1KMT2A
SCHEMBL7888848 0.77 MAPK8 (1.00) MAPK8MAPK10
SCHEMBL6996789 0.76 RAB9A (0.60) MAPK8MAPTKDM4EMAPK1GFER
SCHEMBL7002052 0.74 MAPK1 (0.54) TAAR1MAPTKDM4EMAPK1GFER

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