SCHEMBL6684037

SCHEMBL6684037

COc1ccc(-n2nc(OCC(F)(F)F)nc2-c2ccc(OCCCNS(C)(=O)=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.72
PTGS1 P23219 7/20 0.72
MALT1 Q9UDY8 9/20 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
SCHEMBL6681738 0.90 PTGS2 (0.58) PTGS2PTGS1MALT1
SCHEMBL6682132 0.89 PTGS2 (0.53) PTGS2PTGS1MALT1
SCHEMBL6685203 0.88 PTGS2 (0.74) PTGS2PTGS1MALT1
SCHEMBL6132289 0.85 PTGS2 (1.00) PTGS2PTGS1MALT1
SCHEMBL6683996 0.84 PTGS2 (0.81) PTGS2PTGS1MALT1
SCHEMBL6686713 0.84 PTGS2 (0.81) PTGS2PTGS1MALT1
SCHEMBL6687179 0.84 PTGS2 (0.71) PTGS2PTGS1MALT1
SCHEMBL3354633 0.82 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL5149036 0.80 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL6694687 0.79 PTGS1 (0.68) PTGS2PTGS1MALT1

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-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed