SCHEMBL7933892

SCHEMBL7933892

FC(F)(F)c1cn(-c2ccc(S)cc2)c(-c2cccnc2)n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.72
PTGS1 P23219 3/20 0.51

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
SCHEMBL213457 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL30355967 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3252361 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5694332 0.82 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6281419 0.81 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL21113571 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL6265221 0.81 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL27585016 0.79 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5698570 0.79 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL5071006 0.77 PTGS2 (0.74) 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-1140192-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038730-A2 USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed