SCHEMBL8555400

SCHEMBL8555400

COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)nc1.COc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.69
PTGS1 P23219 8/20 0.69

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
SCHEMBL5594454 0.93 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5594166 0.92 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5594892 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5595217 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL215247 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594109 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5594798 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594030 0.78 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5594455 0.78 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5594241 0.78 PTGS2 (0.79) 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 disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed