SCHEMBL8622571

SCHEMBL8622571

Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.65
PTGS1 P23219 13/20 0.65

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
SCHEMBL7200162 0.91 PTGS2 (0.55) PTGS2PTGS1
Imidazole SCHEMBL5698568 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7860659 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8348992 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8025612 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8347217 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8350251 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8028157 0.81 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8346348 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8553900 0.80 PTGS2 (0.63) 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
WO-1998016227-A9 METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF NEOPLASIA 1998-07-30 WO claimed