SCHEMBL4667845

SCHEMBL4667845

CC[N+](C)(CC)CCOc1cc(N)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
Water SCHEMBL2921450 0.98 MAPT (0.45) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL5232233 0.98 MAPT (0.45) MAPTKDM4EKMT2AALDH1A1GAA
Water SCHEMBL7164888 0.97 MAPT (0.44) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL7171240 0.95 MAPT (0.46) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL2930159 0.87 GAA (0.63) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL5566013 0.86 GAA (0.61) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL15016505 0.85 ALDH1A1 (0.46) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL7739871 0.84 GAA (0.64) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL15016532 0.82 ALDH1A1 (0.47) MAPTKDM4EKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL15016563 0.82 ALDH1A1 (0.47) MAPTKDM4EKMT2AALDH1A1GAA

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-1203762-B1 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods OREAL (FR) 2008-07-02 EP disclosed
EP-1203762-B1 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods OREAL (FR) 2008-07-02 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-0968171-B1 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-10-08 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-1203762-A2 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2002-05-08 EP 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