SCHEMBL7832068

SCHEMBL7832068

CSc1ccc(-c2sc(-c3cccs3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.68
PTGS1 P23219 2/20 0.48
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK13 O15264 4/20 0.42
GCGR P47871 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
MAPK14 Q16539 4/20 0.42
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL6505614 0.81 PTGS2 (0.66) PTGS2MAPK13GCGRMAPK12MAPK11
SCHEMBL7832748 0.81 PTGS2 (0.66) PTGS2MAPK13GCGRMAPK12MAPK11
SCHEMBL213502 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6157381 0.81 PTGS2 (0.69) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL7833299 0.81 PTGS2 (0.47) PTGS2PTGS1MAPK13GCGRMAPK12
SCHEMBL7832741 0.79 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL27587266 0.78 PTGS2 (0.64) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL8808319 0.77 PTGS2 (0.47) PTGS2PTGS1KDM4EALDH1A1MAPK13
SCHEMBL7845143 0.77 PTGS1 (0.44) PTGS2PTGS1MEN1KMT2AMAPK13
SCHEMBL7842639 0.77 PTGS2 (0.69) PTGS2PTGS1MAPTKDM4EALDH1A1

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