SCHEMBL6680929

SCHEMBL6680929

COc1ccc(-n2nc(OCCF)nc2-c2ccc(OCCOS(C)(=O)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.60
PTGS1 P23219 4/20 0.60
MALT1 Q9UDY8 13/20 0.52
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6681259 0.89 PTGS2 (0.53) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6683365 0.85 PTGS1 (0.67) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6685203 0.83 PTGS2 (0.74) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6687277 0.83 PTGS2 (0.51) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6683372 0.82 PTGS1 (0.69) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6684663 0.80 PTGS1 (0.62) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL4031131 0.78 PTGS2 (0.81) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6680320 0.77 PTGS1 (0.58) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL4032188 0.77 PTGS1 (0.72) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6684037 0.75 PTGS2 (0.72) 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