SCHEMBL6570543

SCHEMBL6570543

Cc1cc(NCCCn2cc[n+](C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
TMEM97 Q5BJF2 4/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
APAF1 O14727 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KAT2B Q92831 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7251857 0.92 TMEM97 (0.37) ALDH1A1CYP19A1MAPTMEN1KMT2A
SCHEMBL6151236 0.87 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL6572859 0.82 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5718369 0.81 TMEM97 (0.36) ALDH1A1CYP19A1MAPTMEN1KMT2A
SCHEMBL7664335 0.80 MAPT (0.37) ALDH1A1MAPTKMT2ATMEM97HTT
SCHEMBL6152971 0.80 HTR6 (0.38) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2924995 0.80 NPC1 (0.40) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5189414 0.80 CYP19A1 (0.60) ALDH1A1CYP19A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5537944 0.79 NPC1 (0.40) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL4954691 0.79 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0928289-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
EP-0928289-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-07-14 EP disclosed
WO-1999003836-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