SCHEMBL2929927

SCHEMBL2929927

C[N+](C)(C)CCNc1cc(Cl)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
FERMT2 Q96AC1 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
NOS2 P35228 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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 SCHEMBL6268852 0.98 HSD17B2 (0.40) HSD17B2CYP3A4TSHRALDH1A1ALOX15
SCHEMBL2929676 0.87 CYP3A4 (0.40) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL6273139 0.85 CYP3A4 (0.39) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL15041173 0.83 LMNA (0.39) ALOX15SMN1; SMN2LMNATP53MAPT
SCHEMBL2018693 0.80 LMNA (0.49) HSD17B2CYP3A4TSHRALDH1A1ALOX15
SCHEMBL14784649 0.80 CYP3A4 (0.42) CYP3A4TSHRALDH1A1ALOX15TDP1
SCHEMBL2929239 0.78 ALDH1A1 (0.42) CYP3A4ALDH1A1SMN1; SMN2TDP1FERMT2
SCHEMBL10099695 0.77 SMN1; SMN2 (0.43) HSD17B2CYP3A4TSHRALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6267509 0.76 HTR1A (0.41) CYP3A4TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL16236056 0.75 HSD17B2 (0.46) HSD17B2CYP3A4TSHRALDH1A1ALOX15

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