SCHEMBL6151373

SCHEMBL6151373

Nc1cc(Cl)c(NCCCl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 4/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
KAT2B Q92831 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2471755 0.88 MAPT (0.50) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL23909 0.87 MAPT (0.51) MAPTALDH1A1CYP3A4TDP1ALOX15
Hydrochloric Acid SCHEMBL10713406 0.87 MAPT (0.49) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL29378395 0.87 MAPT (0.51) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL6152988 0.87 MAPT (0.49) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL6151803 0.84 MAPT (0.47) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL8355249 0.81 MAPT (0.47) MAPTALDH1A1CYP3A4LMNAMEN1
SCHEMBL10614428 0.81 MAPT (0.52) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL2834179 0.80 MAPT (0.46) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL27758391 0.79 ALDH1A1 (0.51) MAPTALDH1A1CYP3A4TDP1ALOX15

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 3 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
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 US 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