SCHEMBL8618370

SCHEMBL8618370

O=[N+]([O-])c1ccc(/C=C\c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.68
MAOA P21397 2/20 0.68
APP P05067 1/20 0.64
NPC1 O15118 2/20 0.63
MAPT P10636 2/20 0.63
RAB9A P51151 2/20 0.63
FBP1 P09467 3/20 0.62
PTGS2 P35354 6/20 0.59
PTGS1 P23219 2/20 0.59
CYP19A1 P11511 2/20 0.59
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL3366102 1.00 MAOB (0.68) MAOBMAOAAPPNPC1MAPT
SCHEMBL3366106 1.00 MAOB (0.68) MAOBMAOAAPPNPC1MAPT
SCHEMBL458177 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL458178 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL14947048 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL9170800 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL9170804 0.89 APP (0.78) MAOBAPPNPC1MAPTRAB9A
SCHEMBL14880514 0.88 MAOB (0.58) MAOBMAOAAPPNPC1MAPT
SCHEMBL2724772 0.87 CYP1A2 (0.67) MAOBMAOANPC1MAPTRAB9A
SCHEMBL28180410 0.87 CYP1A2 (0.67) MAOBMAOANPC1MAPTRAB9A

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-0632017-B1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-05-06 EP disclosed
US-5416112-A Antiinflammatory agents ROUSSEL UCLAF (FR) 1995-05-16 US disclosed
EP-0632017-A1 N-phenyl-2-cyano-3-hydroxy propenamides, their tautomeres and salts, their use as medicaments and compositions containing them ROUSSEL UCLAF (FR) 1995-01-04 EP disclosed