SCHEMBL6168001

SCHEMBL6168001

Cc1nn(C)c(NCCCN(C)C)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL8780365 0.80 PKM (0.53) PKMALDH1A1MAPTTDP1CYP1A2
SCHEMBL27540293 0.80 PKM (0.49) PKMALDH1A1MAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL7112027 0.79 PKM (0.51) PKMALDH1A1MAPTTDP1CYP1A2
SCHEMBL6168627 0.79 PKM (0.40) PKMALDH1A1MAPTTDP1CYP1A2
Hydrochloric Acid SCHEMBL7125063 0.78 PKM (0.39) PKMALDH1A1MAPTTDP1CYP1A2
SCHEMBL6168164 0.75 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMAOALMNA
SCHEMBL7111868 0.74 MAPT (0.49) PKMALDH1A1KMT2AMEN1MAPT
SCHEMBL6935206 0.72 PKM (0.50) PKMALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL6167007 0.72 MAPT (0.37) PKMALDH1A1MAPTTDP1CYP1A2
SCHEMBL3373070 0.71 PKM (0.61) PKMALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147090-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-23 EP disclosed
US-6660046-B1 Cationic oxidation bases, their use of dyeing keratin fibres, dyeing compositions and dyeing methods L'OREAL S.A. (FR) 2003-12-09 US disclosed
EP-1147090-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-10-24 EP disclosed
WO-2000043367-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR DYEING KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed