SCHEMBL7842346

SCHEMBL7842346

CCCCNc1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.55
MAPK14 Q16539 1/20 0.48
PTGS1 P23219 2/20 0.48
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
CDC25B P30305 1/20 0.42
DUSP3 P51452 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
SCHEMBL7844299 0.96 PTGS2 (0.53) PTGS2MAPK14PTGS1GAAMAPT
SCHEMBL7841857 0.93 PTGS2 (0.57) PTGS2MAPK14PTGS1GAAMAPT
SCHEMBL7833194 0.89 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL7842708 0.89 PTGS2 (0.62) PTGS2MAPK14PTGS1
SCHEMBL7841729 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7846640 0.82 PTGS2 (0.62) PTGS2MAPK14PTGS1MAPTKDM4E
SCHEMBL213895 0.82 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7846478 0.81 PTGS2 (0.56) PTGS2MAPK14PTGS1
SCHEMBL7845707 0.80 PTGS2 (0.60) PTGS2MAPK14PTGS1ALDH1A1
SCHEMBL6284195 0.79 ADORA3 (0.53) MAPK14GAAMAPTKDM4EALDH1A1

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP 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