SCHEMBL6151746

SCHEMBL6151746

CSc1cc(N)c([N+](=O)[O-])cc1NCC[n+]1cccn1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 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
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CDK2 P24941 1/20 0.31
KAT2B Q92831 5/20 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 SCHEMBL7668605 0.99 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6151228 0.86 MAPT (0.41) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7662138 0.85 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6151858 0.81 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL7671249 0.80 MAPT (0.40) MAPTALDH1A1BCHEACHELMNA
SCHEMBL8355335 0.76 MAPT (0.51) MAPTALDH1A1BCHEACHELMNA
SCHEMBL6150864 0.75 MAPT (0.50) MAPTALDH1A1BCHEACHELMNA
SCHEMBL8350044 0.71 MAPT (0.46) MAPTALDH1A1BCHEACHELMNA
Bromide SCHEMBL5718537 0.68 MAPT (0.47) MAPTALDH1A1MEN1KMT2A
SCHEMBL6151810 0.67 MAPT (0.42) 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