SCHEMBL7843982

SCHEMBL7843982

CSc1ccc(-c2sc(COc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.48
PTGS1 P23219 3/20 0.48
PPARD Q03181 11/20 0.47
KDM4E B2RXH2 1/20 0.44
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
ROS1 P08922 1/20 0.44
MAPT P10636 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
MARK3 P27448 1/20 0.44
MAPK1 P28482 1/20 0.44
AKT1 P31749 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CLK2 P49760 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
SCHEMBL7852850 0.84 PTGS2 (0.56) PTGS2PTGS1PPARD
SCHEMBL7842706 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL7845630 0.83 PTGS2 (0.68) PTGS2PTGS1PPARD
SCHEMBL7840151 0.82 PTGS1 (0.57) PTGS2PTGS1PPARDMAPT
SCHEMBL7842822 0.81 PPARD (0.55) PTGS2PTGS1PPARD
SCHEMBL7843022 0.81 PTGS2 (0.72) PTGS2PTGS1PPARDKDM4ECDC7
SCHEMBL7839793 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7832559 0.78 MAPT (0.45) PTGS2PTGS1PPARDKDM4ECDC7
SCHEMBL7841792 0.78 PTGS2 (0.64) PTGS2PTGS1MAP4K4PRKACARPS6KB1
SCHEMBL7846685 0.78 PTGS2 (0.51) PTGS2PTGS1PPARDKDM4ECDC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed