SCHEMBL6151375

SCHEMBL6151375

Nc1ccc(NCC(Cl)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.41
PKM P14618 1/20 0.40
EGFR P00533 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL6151067 0.80 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL10385970 0.80 MAPT (0.59) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL2470791 0.78 HTR6 (0.59) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL111190 0.77 MAPT (0.50) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8966029 0.77 MAPT (0.47) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL20129837 0.76 HTR6 (0.60) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL11794436 0.75 KMT2A (0.53) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL9566974 0.75 MAPT (0.49) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL11474414 0.75 MEN1 (0.54) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL112673 0.74 TSHR (0.59) MAPTTDP1ALDH1A1MEN1KMT2A

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