SCHEMBL6748711

SCHEMBL6748711

C[N+]1(CCCN2CCCC2)CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 2/20 0.44

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 SCHEMBL5390064 0.99 MAPT (0.45) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6746551 0.96 MAPT (0.46) MAPTKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5345638 0.95 MAPT (0.45) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL5707914 0.90 KDM4E (0.49) MAPTKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5707943 0.89 KDM4E (0.48) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL5707920 0.88 KDM4E (0.53) MAPTKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5707950 0.87 KDM4E (0.51) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6744572 0.84 GAA (0.48) MAPTKDM4EALDH1A1GAAKMT2A
Hydrochloric Acid SCHEMBL5355166 0.83 GAA (0.47) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL6742559 0.81 MAPT (0.47) MAPTKDM4EALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462091-A1 Composition for dyeing of keratinic fibers comprising a cationic derivative of p-phenylenediamine substituted by a diazacyclohexane or a diazacyloheptane L'OREAL (FR) 2004-09-29 EP claimed
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US disclosed