SCHEMBL484007

SCHEMBL484007

Nc1ccc(NCC(CCO)Nc2ccc(N)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
RAB9A P51151 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
APP P05067 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL6838626 0.84 MAPT (0.36) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL28447576 0.82 MAPT (0.35) MAPTRAB9AAPPMEN1KMT2A
SCHEMBL855273 0.82 KCNH2 (0.38) APPKCNH2
SCHEMBL2319369 0.80 APP (0.34) MAPTRAB9AMAOAMAOBAPP
SCHEMBL10887757 0.79 GRIA4 (0.34) MAPTRAB9ALMNAPKMKCNH2
Hydrochloric Acid SCHEMBL10887735 0.76 GRIA4 (0.33) RAB9ALMNAPKMKCNH2ALDH1A1
SCHEMBL4931495 0.76 MAPT (0.44) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL3860929 0.75 MAPT (0.41) MAPTRAB9AMAOAMAOBAPP
SCHEMBL7030236 0.75 MAPT (0.41) MAPTRAB9AMAOAMAOBAPP
SCHEMBL15609308 0.74 MAPT (0.38) MAPTRAB9AAPPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047376-B1 KERATINOUS FIBRE DYEING COMPOSITION CONTAINING A LACCASE AND DYEING METHOD USING SAME OREAL (FR) 2001-05-23 EP claimed
US-5609649-A Tinctorial composition for keratinous fibers containing oxidation dye precursors and couplers derived from 4-hydroxyindole, and dyeing method using them L'OREAL (FR) 1997-03-11 US claimed
EP-0424261-A1 Dyeing composition containing oxidation dyes precursors and aminoindole derivatives as coupling agent L'OREAL (FR) 1991-04-24 EP claimed
US-20130042882-A1 COLORANTS FOR KERATINIC FIBRES HAVING OPTIMIZED VISCOSITY ADJUSTMENT HENKEL AG & CO. KGAA (DE) 2013-02-21 US disclosed
EP-2010494-B1 SPECIFIC MONOCATIONIC MONOCHROMOPHORIC COMPOUNDS OF HYDRAZONE TYPE COMPRISING A 2-, 4-PYRIDINIUM OR 2-, 4-QUINOLINIUM UNIT, SYNTHESIS THEREOF, DYE COMPOSITIONS CONTAINING THEM, AND METHOD FOR DYEING KERATIN FIBRES OREAL (FR) 2012-02-01 EP disclosed
US-6383231-B1 MIXTURE CONTAINING ANIONIC SURFACTANT L'OREAL (FR) 2002-05-07 US disclosed
US-5443596-A Keratinous fiber dyeing compositions and processes utilizing oxidation dye precursors in combination with dimethoxy meta-aminophenol couplers L'OREAL (FR) 1995-08-22 US disclosed