SCHEMBL6687447

SCHEMBL6687447

COc1ccc(-n2nc(OCC3CC3)nc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.57
PTGS2 P35354 4/20 0.57
MALT1 Q9UDY8 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK6 Q16659 1/20 0.38

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
SCHEMBL6687131 0.89 PTGS1 (0.60) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6682126 0.86 MALT1 (0.53) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6687157 0.85 PTGS1 (0.57) PTGS1PTGS2MALT1L3MBTL1MAPT
SCHEMBL6686621 0.85 PTGS1 (0.54) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6682877 0.84 PTGS1 (0.56) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6687347 0.84 PTGS1 (0.56) PTGS1PTGS2MALT1L3MBTL1MAPT
SCHEMBL6680833 0.83 PTGS1 (0.55) PTGS1PTGS2MALT1L3MBTL1MAPT
SCHEMBL6680320 0.82 PTGS1 (0.58) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6687111 0.80 PTGS1 (0.52) PTGS1PTGS2MALT1L3MBTL1
SCHEMBL6685896 0.78 PTGS2 (0.56) PTGS1PTGS2MALT1L3MBTL1

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