SCHEMBL6151236

SCHEMBL6151236

CNc1cc(NCCCn2cc[n+](C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.38
KAT2B Q92831 1/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 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
SCHEMBL7664335 0.92 MAPT (0.37) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL6570543 0.87 ALDH1A1 (0.39) MAPTKMT2AALDH1A1HPGDPOLB
SCHEMBL6152971 0.85 HTR6 (0.38) MAPTKMT2AALDH1A1GLAGAA
SCHEMBL6572859 0.81 ALDH1A1 (0.49) MAPTKMT2AALDH1A1HPGDGLA
SCHEMBL6151788 0.81 CYP19A1 (0.53) MAPTKMT2AALDH1A1POLBMAPK1
SCHEMBL7251857 0.80 TMEM97 (0.37) MAPTKMT2AALDH1A1GLAGAA
SCHEMBL5718369 0.79 TMEM97 (0.36) MAPTKMT2AALDH1A1HPGDGLA
SCHEMBL7664021 0.79 HTR6 (0.34) MAPTALDH1A1GLAGAAHTR6
SCHEMBL5718533 0.77 MAPT (0.55) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL5718310 0.77 MAPT (0.38) MAPTKMT2AALDH1A1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed