SCHEMBL6152988

SCHEMBL6152988

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
BCL6 P41182 2/20 0.38
BCOR Q6W2J9 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK2 P24941 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6151803 0.92 MAPT (0.47) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL2471755 0.87 MAPT (0.50) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL6151373 0.87 MAPT (0.50) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL29378395 0.85 MAPT (0.51) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL23909 0.85 MAPT (0.51) MAPTALDH1A1CYP3A4TDP1LMNA
Hydrochloric Acid SCHEMBL10713406 0.85 MAPT (0.49) MAPTALDH1A1CYP3A4TDP1ALOX15
SCHEMBL8355249 0.82 MAPT (0.47) MAPTALDH1A1CYP3A4LMNAMEN1
SCHEMBL6151634 0.82 MAPT (0.52) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL6150864 0.80 MAPT (0.50) MAPTALDH1A1CYP3A4TDP1LMNA
SCHEMBL10614428 0.79 MAPT (0.52) MAPTALDH1A1CYP3A4TDP1LMNA

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