SCHEMBL6151228

SCHEMBL6151228

Cn1ccc[n+]1CCNc1cc([N+](=O)[O-])c(N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
KAT2B Q92831 2/20 0.31
CDK2 P24941 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 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 SCHEMBL7662138 0.99 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151746 0.86 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL7668605 0.85 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6152229 0.80 MAPT (0.41) MAPTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7667033 0.80 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL7666289 0.80 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151790 0.77 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL7668911 0.76 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2471755 0.74 MAPT (0.50) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6151373 0.74 MAPT (0.50) 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