SCHEMBL6687640

SCHEMBL6687640

CCOCCOc1nc(-c2ccc(OCCNC(N)=O)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 12/20 0.58
PTGS2 P35354 5/20 0.51
PTGS1 P23219 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6680320 0.86 PTGS1 (0.58) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6686281 0.85 MALT1 (0.54) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6682126 0.84 MALT1 (0.53) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6687464 0.83 MALT1 (0.51) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6684493 0.83 PTGS1 (0.60) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL5147838 0.83 CHRNA7 (0.44) MALT1PTGS2ALDH1A1
SCHEMBL6687179 0.83 PTGS2 (0.71) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6681259 0.82 PTGS2 (0.53) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6685190 0.79 PTGS1 (0.54) MALT1PTGS2PTGS1L3MBTL1
SCHEMBL6680858 0.78 RAB9A (0.55) MALT1PTGS2PTGS1ALDH1A1

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