SCHEMBL6151810

SCHEMBL6151810

Cc1cc(N)c([N+](=O)[O-])cc1NCC[n+]1ccn(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.34
KAT2B Q92831 4/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
RECQL P46063 1/20 0.33
PABPC1 P11940 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALOX15 P16050 1/20 0.31
MPI P34949 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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 SCHEMBL7665909 0.99 MAPT (0.41) MAPTALDH1A1LMNAKAT2BBCHE
SCHEMBL6152229 0.88 MAPT (0.41) MAPTALDH1A1LMNAKAT2BBCHE
Hydrochloric Acid SCHEMBL7667033 0.87 MAPT (0.40) MAPTALDH1A1LMNAKAT2BBCHE
Bromide SCHEMBL7666289 0.87 MAPT (0.40) MAPTALDH1A1LMNAKAT2BBCHE
SCHEMBL6151858 0.87 MAPT (0.40) MAPTALDH1A1LMNAKAT2BBCHE
Bromide SCHEMBL7671249 0.86 MAPT (0.40) MAPTALDH1A1LMNAKAT2BBCHE
SCHEMBL6151790 0.82 MAPT (0.40) MAPTALDH1A1LMNAKAT2BBCHE
Bromide SCHEMBL7668911 0.81 MAPT (0.39) MAPTALDH1A1LMNAKAT2BBCHE
SCHEMBL6151518 0.81 TSHR (0.39) MAPTALDH1A1LMNATSHRCYP3A4
Hydrochloric Acid SCHEMBL7662031 0.80 TSHR (0.38) MAPTALDH1A1LMNATSHRCYP3A4

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