SCHEMBL6151790

SCHEMBL6151790

Cn1cc[n+](CCCNc2cc([N+](=O)[O-])c(N)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 3/20 0.40
KAT2B Q92831 4/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PABPC1 P11940 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCL6 P41182 1/20 0.32
BCOR Q6W2J9 1/20 0.32

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
Bromide SCHEMBL7668911 0.99 MAPT (0.39) MAPTALDH1A1KAT2BBCHEACHE
SCHEMBL6152229 0.94 MAPT (0.41) MAPTALDH1A1KAT2BBCHEACHE
Bromide SCHEMBL7666289 0.93 MAPT (0.40) MAPTALDH1A1KAT2BBCHEACHE
Hydrochloric Acid SCHEMBL7667033 0.93 MAPT (0.40) MAPTALDH1A1KAT2BBCHEACHE
SCHEMBL6151810 0.82 MAPT (0.42) MAPTALDH1A1KAT2BBCHEACHE
Bromide SCHEMBL7665909 0.81 MAPT (0.41) MAPTALDH1A1KAT2BBCHEACHE
SCHEMBL6151858 0.80 MAPT (0.40) MAPTALDH1A1KAT2BBCHEACHE
Bromide SCHEMBL7671249 0.79 MAPT (0.40) MAPTALDH1A1KAT2BBCHEACHE
SCHEMBL6151228 0.77 MAPT (0.41) MAPTALDH1A1KAT2BBCHEACHE
Bromide SCHEMBL7662138 0.76 MAPT (0.40) MAPTALDH1A1KAT2BBCHEACHE

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