SCHEMBL6151803

SCHEMBL6151803

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.41
KAT2B Q92831 5/20 0.40
PRSS1 P07477 3/20 0.39
BCL6 P41182 1/20 0.39
BCOR Q6W2J9 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6152988 0.92 MAPT (0.49) MAPTALDH1A1CYP3A4BCL6BCOR
SCHEMBL6151373 0.84 MAPT (0.50) MAPTALDH1A1CYP3A4KAT2BLMNA
SCHEMBL2471755 0.84 MAPT (0.50) MAPTALDH1A1CYP3A4KAT2BLMNA
SCHEMBL23909 0.83 MAPT (0.51) MAPTALDH1A1CYP3A4BCL6BCOR
Hydrochloric Acid SCHEMBL10713406 0.83 MAPT (0.49) MAPTALDH1A1CYP3A4KAT2BTDP1
SCHEMBL29378395 0.83 MAPT (0.51) MAPTALDH1A1CYP3A4BCL6BCOR
SCHEMBL8355249 0.80 MAPT (0.47) MAPTALDH1A1CYP3A4KAT2BLMNA
SCHEMBL10614428 0.77 MAPT (0.52) MAPTALDH1A1CYP3A4BCL6BCOR
SCHEMBL2834179 0.76 MAPT (0.46) MAPTALDH1A1CYP3A4KAT2BBCL6
SCHEMBL27758391 0.76 ALDH1A1 (0.51) MAPTALDH1A1CYP3A4KAT2BPRSS1

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