SCHEMBL6151067

SCHEMBL6151067

Nc1ccc(NCCCl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
POLB P06746 3/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
TSHR P16473 1/20 0.47
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
HTR6 P50406 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2470791 0.86 HTR6 (0.59) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL111190 0.84 MAPT (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL1947951 0.81 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL10385970 0.81 MAPT (0.59) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11219406 0.81 HCAR3 (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL6151375 0.80 MAPT (0.49) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL17767775 0.80 LMNA (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9819662 0.79 HTT (0.57) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11474414 0.79 MEN1 (0.54) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11490739 0.79 TSHR (0.45) MAPTALDH1A1MEN1KMT2ATDP1

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