SCHEMBL2929239

SCHEMBL2929239

COc1ccc(N)c(NCC[N+](C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 2/20 0.40
HTT P42858 1/20 0.40
MMP14 P50281 1/20 0.40
RAB9A P51151 1/20 0.40
HTR1A P08908 3/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
FERMT2 Q96AC1 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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 SCHEMBL6267509 0.98 HTR1A (0.41) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL29624960 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL2019104 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL763435 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL3897070 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL16407615 0.81 PTGER4 (0.49) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL15041173 0.80 LMNA (0.39) MAPTKDM4EBLMSMN1; SMN2
SCHEMBL763898 0.79 PTGER4 (0.48) ALDH1A1CYP3A4TDP1MAPTMEN1
SCHEMBL19312419 0.78 HTR1A (0.47) ALDH1A1CYP3A4TDP1HTR1AADRA1D
SCHEMBL2219091 0.78 HDAC3 (0.46) ALDH1A1CYP3A4TDP1MAPTMEN1

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