SCHEMBL2930165

SCHEMBL2930165

Cn1cc[n+](CCCOc2ccc(N)cc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
PRSS1 P07477 8/20 0.35
APAF1 O14727 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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 SCHEMBL5532814 0.99 HTT (0.48) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7633692 0.97 MAPT (0.50) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL2923317 0.90 MAPT (0.36) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5531170 0.88 MAPT (0.35) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5480926 0.88 KDM4E (0.44) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7621770 0.87 MAPT (0.38) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7251433 0.87 MAPT (0.38) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL2927908 0.86 MEN1 (0.44) MAPTGAAHTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6151511 0.85 KDM4E (0.43) MAPTGAAHTTKDM4EALDH1A1
SCHEMBL6572374 0.81 ALDH1A1 (0.38) GAAHTTALDH1A1L3MBTL1CYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP claimed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP claimed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 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-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-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-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-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed