SCHEMBL5197825

SCHEMBL5197825

CC(N=Nc1n(C)c2ccccc2[n+]1C)=NN=c1ccccn1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ERAP1 Q9NZ08 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31

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 SCHEMBL4804279 0.99 KDM4E (0.38) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5198840 0.85 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5197279 0.85 MAPT (0.37) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5198027 0.85 MAPT (0.35) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4804525 0.84 KDM4E (0.34) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4799458 0.84 KDM4E (0.36) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4804902 0.84 KDM4E (0.34) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5198124 0.82 MAPT (0.39) KDM4EMAPTRAB9APKMMAPK1
Hydrochloric Acid SCHEMBL4807400 0.81 MAPT (0.39) KDM4EMAPTRAB9APKMMAPK1
SCHEMBL5196749 0.78 KDM4E (0.44) KDM4ERAB9ANPC1NPSR1PABPC1

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 6 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
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