SCHEMBL4056945

SCHEMBL4056945

N#Cc1ccc(-c2ccc(N)cc2)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
XDH P47989 4/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAP4K4 O95819 1/20 0.47
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3319165 0.89 MAOB (0.49) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL2700393 0.88 MAOB (0.56) MAOBXDHFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL4488053 0.87 MAOB (0.55) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL8807037 0.82 MAOB (0.60) MAOBXDHGAAMAPTMAOA
SCHEMBL3788705 0.81 MAPT (0.54) MAOBGAAMAPTMAOARAB9A
SCHEMBL3317611 0.79 FNTA (0.54) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL6484493 0.78 FNTA (0.58) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL3865512 0.78 MAOB (0.77) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL3786669 0.78 MAOB (0.54) MAOBGAAMAPTMAOARAB9A
SCHEMBL28185508 0.78 MAOB (0.58) MAOBXDHFNTAFNTBPGGT1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed