SCHEMBL6941718

SCHEMBL6941718

CN(C)CCCN(CCCN(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP14 P50281 1/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4717364 0.89 MAPT (0.56) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL3158429 0.86 MAPT (0.76) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL5835749 0.84 MAPT (0.73) MAPTHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL12004712 0.81 MAPT (0.55) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL3979891 0.81 MAPT (0.64) MAPTHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL3691462 0.81 MAPT (0.64) MAPTHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL11132823 0.81 KCNH2 (0.57) MAPTTSHRCRHBPCRHR2KCNH2
SCHEMBL5692166 0.80 MAPT (0.62) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL6947631 0.80 MAPT (0.50) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL3144557 0.80 MAPT (0.50) MAPTPOLBHTTL3MBTL1CYP1A2

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-0968171-B1 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-10-08 EP disclosed
US-6565614-B1 Mixture containing quaternary ammonium compound L'OREAL (FR) 2003-05-20 US disclosed
EP-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed