SCHEMBL6746115

SCHEMBL6746115

Cc1ccc(-n2c(-c3cc(F)c(S(N)(=O)=O)cc3F)coc2=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.42
PTGS1 P23219 16/20 0.42

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
SCHEMBL6736255 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL6734979 0.84 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6740178 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6739193 0.84 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6732497 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6739090 0.83 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6735449 0.82 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6732743 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6729010 0.82 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL6733553 0.82 PTGS2 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed