SCHEMBL5197336

SCHEMBL5197336

CC(C)C(N=Nc1n(C)c2ccccc2[n+]1C)=NN=c1ccn(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
PKM P14618 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ERAP1 Q9NZ08 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL4803998 0.99 MAPT (0.35) MAPTKDM4EPKMMAPK1KMT2A
SCHEMBL5198124 0.85 MAPT (0.39) MAPTKDM4EPKMMAPK1KMT2A
Hydrochloric Acid SCHEMBL4807400 0.84 MAPT (0.39) MAPTKDM4EPKMMAPK1KMT2A
SCHEMBL5198027 0.83 MAPT (0.35) MAPTKDM4EPKMMAPK1KMT2A
Hydrochloric Acid SCHEMBL4804525 0.83 KDM4E (0.34) MAPTKDM4EPKMMAPK1KMT2A
SCHEMBL5199478 0.82 MAPT (0.37) MAPTKDM4EPKMMAPK1KMT2A
SCHEMBL5196704 0.82 MAPT (0.35) MAPTKDM4EPKMMAPK1KMT2A
Hydrochloric Acid SCHEMBL4799654 0.81 MAPT (0.35) MAPTKDM4EPKMMAPK1KMT2A
Hydrochloric Acid SCHEMBL4808159 0.81 MAPT (0.37) MAPTKDM4EPKMMAPK1KMT2A
Hydrochloric Acid SCHEMBL5226294 0.77 OPRM1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed
WO-2007071686-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, AN OXIDATION BASE AND A PARTICULAR COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1548006-A1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis L'OREAL (FR) 2005-06-29 EP claimed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP claimed
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP disclosed
EP-1548006-A1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis L'OREAL (FR) 2005-06-29 EP disclosed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed