SCHEMBL5154934

SCHEMBL5154934

Nc1ccccc1NCCCn1cc[n+](CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
QPCT Q16769 8/20 0.37
MAPT P10636 2/20 0.36
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
NCOR2 Q9Y618 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
Bromide SCHEMBL6271419 0.99 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAQPCT
SCHEMBL2930208 0.91 MEN1 (0.36) MEN1KMT2AALDH1A1LMNAQPCT
Hydrochloric Acid SCHEMBL6271443 0.90 QPCT (0.38) MEN1KMT2AALDH1A1LMNAQPCT
Hydrochloric Acid SCHEMBL7622648 0.80 QPCT (0.37) MEN1KMT2AALDH1A1LMNAQPCT
SCHEMBL5158086 0.80 MEN1 (0.43) MEN1KMT2AQPCTMAPTHDAC3
Hydrochloric Acid SCHEMBL5227051 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAQPCT
Hydrochloric Acid SCHEMBL6274133 0.78 MEN1 (0.33) MEN1KMT2AALDH1A1LMNAQPCT
Hydrochloric Acid SCHEMBL7700418 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAQPCT
SCHEMBL3852453 0.77 SOD1 (0.32) MEN1KMT2AALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL1989198 0.73

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 8 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-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP claimed
EP-1056435-B9 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2007-01-10 EP disclosed
EP-1056435-B1 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES 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-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-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed