SCHEMBL2929392

SCHEMBL2929392

CN(CC[N+](C)(C)C)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32

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 SCHEMBL6272221 0.98 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1MAPK1TP53
Hydrochloric Acid SCHEMBL7163645 0.96 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL10955815 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL16914897 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL11323561 0.80 ALDH1A1 (0.40) ALDH1A1TDP1ALOX15TSHRKDM4E
SCHEMBL3156561 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL1924408 0.77 TDP1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL55931 0.77 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL1537864 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53
Hydrochloric Acid SCHEMBL3570619 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1MAPK1TP53

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 14 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-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP claimed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO 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-1674074-A1 Colored hair treating process with a composition comprising a specific non ionic and/or an amphoteric and/or a mild anionic surfactant and use to protect the coloration L'OREAL (FR) 2006-06-28 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-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed