SCHEMBL6151858

SCHEMBL6151858

CSc1cc(N)c([N+](=O)[O-])cc1NCC[n+]1ccn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.33
KAT2B Q92831 3/20 0.31
MPI P34949 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL7671249 0.99 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6151810 0.87 MAPT (0.42) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6152229 0.86 MAPT (0.41) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7665909 0.86 MAPT (0.41) MAPTALDH1A1BCHEACHELMNA
Hydrochloric Acid SCHEMBL7667033 0.85 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7666289 0.85 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6151746 0.81 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6151790 0.80 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7668605 0.80 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7668911 0.79 MAPT (0.39) MAPTALDH1A1BCHEACHELMNA

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