SCHEMBL6686281

SCHEMBL6686281

COc1ccc(-n2nc(OCC(F)F)nc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 11/20 0.54
PTGS2 P35354 5/20 0.53
PTGS1 P23219 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL6687640 0.85 MALT1 (0.58) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6687179 0.84 PTGS2 (0.71) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6682126 0.84 MALT1 (0.53) MALT1PTGS2PTGS1L3MBTL1MTNR1A
SCHEMBL6687464 0.83 MALT1 (0.51) MALT1PTGS2PTGS1L3MBTL1MTNR1A
SCHEMBL5150845 0.83 PTGS2 (0.43) MALT1PTGS2PTGS1MTNR1AMTNR1B
SCHEMBL6687282 0.80 PTGS2 (0.53) MALT1PTGS2PTGS1L3MBTL1MTNR1A
SCHEMBL5148721 0.77 PTGS2 (0.60) MALT1PTGS2PTGS1
SCHEMBL5150568 0.76 CCKAR (0.46) MALT1PTGS2PTGS1MTNR1AMTNR1B
SCHEMBL6681832 0.76 PTGS1 (0.57) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL5152241 0.75 PTGS1 (0.49) MALT1PTGS2PTGS1MTNR1AMTNR1B

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 claimed