SCHEMBL7846075

SCHEMBL7846075

CNc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.57
PTGS1 P23219 12/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL7833803 0.88 PTGS2 (0.70) PTGS2PTGS1KDM4EALDH1A1MAPT
SCHEMBL7843562 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7840904 0.86 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7845011 0.84 PTGS2 (0.52) PTGS2PTGS1KDM4EALDH1A1MAPT
SCHEMBL7841695 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7841293 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7842901 0.82 SMN1; SMN2 (0.56) PTGS2PTGS1KDM4EMAPT
SCHEMBL7840997 0.82 SMN1; SMN2 (0.56) PTGS2PTGS1KDM4EMAPT
SCHEMBL7840699 0.81 PTGS2 (0.49) PTGS2PTGS1ALDH1A1
SCHEMBL7846681 0.81 PTGS2 (0.62) PTGS2PTGS1

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