SCHEMBL7843751

SCHEMBL7843751

NS(=O)(=O)c1ccc(-c2sc(Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
PTGS2 P35354 6/20 0.52
PTGS1 P23219 5/20 0.52
IKBKB O14920 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
SOS1 Q07889 2/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CA12 O43570 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
SCHEMBL7846456 0.90 PTGDR2 (0.59) PTGDR2PTGS2PTGS1
SCHEMBL7839771 0.84 CA1 (0.54) PTGDR2MEN1KMT2APTGS2PTGS1
SCHEMBL7846460 0.80 PTGDR2 (0.57) PTGDR2MEN1KMT2APTGS2MAPT
SCHEMBL7844920 0.79 PTGS2 (0.61) PTGDR2MEN1KMT2APTGS2PTGS1
SCHEMBL7843369 0.78 CCNA2 (0.52) PTGDR2MEN1KMT2APTGS2PTGS1
SCHEMBL7843975 0.78 PTGS2 (0.56) MEN1KMT2APTGS2MAPTSMN1; SMN2
SCHEMBL7841561 0.77 PTGS2 (0.71) PTGS2PTGS1CA1CA2CA9
SCHEMBL7846075 0.77 PTGS2 (0.57) PTGS2PTGS1MAPT
SCHEMBL208098 0.77 MAPT (0.63) PTGDR2MEN1KMT2APTGS2MAPT
SCHEMBL7832857 0.76 SMN1; SMN2 (0.58) MEN1KMT2APTGS2PTGS1MAPT

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