SCHEMBL693125

SCHEMBL693125

Nc1ccc(NCC=Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
CYP19A1 P11511 2/20 0.53
APP P05067 1/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 2/20 0.43
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT1 Q99873 1/20 0.41
CYP1B1 Q16678 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
SCHEMBL10748019 0.87 MAOB (0.55) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL6665965 0.87 MAOB (0.55) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL29285202 0.84 KDM4E (0.45) MAOBMAPTALDH1A1HTTKDM4E
SCHEMBL29285201 0.84 KDM4E (0.45) MAOBMAPTALDH1A1HTTKDM4E
SCHEMBL1065321 0.82 MAOB (0.44) MAOBALDH1A1KDM4EIDO1RAB9A
SCHEMBL20651287 0.82 NFE2L2 (0.53) MAOBMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL28981267 0.82 EGFR (0.53) MAOBMAOAMAPTALDH1A1HTT
SCHEMBL1065322 0.82 MAOB (0.44) MAOBALDH1A1KDM4EIDO1RAB9A
SCHEMBL28981265 0.82 EGFR (0.53) MAOBMAOAMAPTALDH1A1HTT
SCHEMBL22861517 0.78 RAB9A (0.62) MAOBMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed