SCHEMBL8553900

SCHEMBL8553900

COc1cncc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.63
PTGS1 P23219 11/20 0.49

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
SCHEMBL8348992 0.88 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5594237 0.84 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8350251 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8556910 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6149806 0.81 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8622571 0.80 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL8025367 0.80 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL7860659 0.78 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5594195 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8025612 0.77 PTGS2 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP claimed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO claimed