SCHEMBL5199478

SCHEMBL5199478

Cn1ccc(=NN=C(N=Nc2n(C)c3ccccc3[n+]2C)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 2/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
HSP90AA1 P07900 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
ALDH1A1 P00352 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 SCHEMBL4808159 0.99 MAPT (0.37) MAPTKDM4EMAPK1RAB9APKM
SCHEMBL5198124 0.85 MAPT (0.39) MAPTKDM4EMAPK1RAB9APKM
Hydrochloric Acid SCHEMBL4807400 0.84 MAPT (0.39) MAPTKDM4EMAPK1RAB9APKM
SCHEMBL5197279 0.83 MAPT (0.37) MAPTKDM4EMAPK1RAB9APKM
Hydrochloric Acid SCHEMBL4799458 0.83 KDM4E (0.36) MAPTKDM4EMAPK1RAB9APKM
SCHEMBL5197336 0.82 MAPT (0.35) MAPTKDM4EMAPK1RAB9APKM
Hydrochloric Acid SCHEMBL4803998 0.81 MAPT (0.35) MAPTKDM4EMAPK1RAB9APKM
Hydrochloric Acid SCHEMBL4799654 0.81 MAPT (0.35) MAPTKDM4EMAPK1RAB9APKM
SCHEMBL5197343 0.78 L3MBTL1 (0.34) MAPTKDM4EMAPK1RAB9AGAA
Hydrochloric Acid SCHEMBL4806501 0.77 L3MBTL1 (0.36) MAPTKDM4EMAPK1RAB9AGAA

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
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
WO-2004005407-A2 TETRA-AZAPENTAMETHINE AND USE THEREOF FOR DYEING KERATINOUS FIBERS L'OREAL (FR) 2004-01-15 WO disclosed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed