SCHEMBL6151145

SCHEMBL6151145

Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(N)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
GAA P10253 3/20 0.55
GFER P55789 1/20 0.55
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
FFAR4 Q5NUL3 3/20 0.50
PKM P14618 2/20 0.50
POLB P06746 2/20 0.50
APP P05067 1/20 0.49
TSHR P16473 1/20 0.49
HSP90AA1 P07900 2/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL11056165 0.86 MAPT (0.50) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL11054749 0.85 ALDH1A1 (0.51) ALDH1A1GAAGFERMAPTTDP1
SCHEMBL2367787 0.84 MAPT (0.61) ALDH1A1GAAGFERMAPTTDP1
SCHEMBL14877793 0.83 MAPT (0.67) ALDH1A1GAAGFERMAPTTDP1
SCHEMBL5956136 0.82 MAPT (0.51) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL9498095 0.80 MAPT (0.54) ALDH1A1GAAGFERMAPTTDP1
SCHEMBL1819446 0.80 MAPT (0.54) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL11876774 0.80 MAPT (0.56) ALDH1A1GAAGFERMAPTTDP1
SCHEMBL6151524 0.80 FFAR4 (0.78) ALDH1A1GAAMAPTTDP1LMNA
SCHEMBL16671925 0.78 APP (0.61) ALDH1A1GAAGFERMAPTLMNA

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 6 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
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed
US-4511360-A Dyeing compositions based on oxidation dyestuff precursors and on nitro benzene dyestuffs and their use for dyeing keratin fibres L'OREAL (FR) 1985-04-16 US disclosed
US-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed