SCHEMBL6152229

SCHEMBL6152229

Cn1cc[n+](CCNc2cc([N+](=O)[O-])c(N)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
KAT2B Q92831 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MPI P34949 1/20 0.31

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 SCHEMBL7666289 0.99 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7667033 0.99 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151790 0.94 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL7668911 0.93 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151810 0.88 MAPT (0.42) MAPTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL7665909 0.87 MAPT (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151858 0.86 MAPT (0.40) MAPTALDH1A1LMNABCHEACHE
Bromide SCHEMBL7671249 0.85 MAPT (0.40) MAPTALDH1A1LMNABCHEACHE
SCHEMBL6151228 0.80 MAPT (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151518 0.80 TSHR (0.39) MAPTALDH1A1LMNAMEN1KMT2A

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