SCHEMBL2930867

SCHEMBL2930867

C[N+](C)(C)CCNc1c(N)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.36
NR4A2 P43354 1/20 0.36
CYP3A4 P08684 1/20 0.33
PIK3CA P42336 1/20 0.33
BCHE P06276 5/20 0.32
ACHE P22303 5/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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 SCHEMBL6270049 0.98 ALDH1A1 (0.39) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL3633711 0.81 ALDH1A1 (0.44) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL307339 0.77 TSHR (0.40) ALDH1A1TSHRNR4A2CYP3A4BCHE
SCHEMBL3786027 0.77 ALDH1A1 (0.47) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL11508928 0.75 POLB (0.42) ALDH1A1TSHRNR4A2CYP3A4BCHE
SCHEMBL739146 0.74 SMN1; SMN2 (0.50) ALDH1A1BCHEACHEMAPTMAPK1
SCHEMBL3875390 0.74 NPC1 (0.47) ALDH1A1TSHRL3MBTL1KMT2ACHRM2
SCHEMBL3633834 0.72 ALDH1A1 (0.42) ALDH1A1TSHRNR4A2CYP3A4PIK3CA
SCHEMBL2925414 0.72 MAPT (0.44) ALDH1A1TSHRCYP3A4MAPTMAPK1
Hydrochloric Acid SCHEMBL5480784 0.70 MAPT (0.42) ALDH1A1TSHRMAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP claimed
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP disclosed
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
EP-0983996-A1 Cationic ortho-phenylenediamines, their use for oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed