SCHEMBL6151853

SCHEMBL6151853

Nc1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 2/20 0.62
▸ CRHR2 Q13324 2/20 0.62
▸ FFAR4 Q5NUL3 1/20 0.62
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SLC25A1 P53007 1/20 0.55
▸ DNMT1 P26358 1/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.49
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ APP P05067 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ PKM P14618 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ VCAM1 P19320 1/20 0.44

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
SCHEMBL10615498 0.85 CRHBP (0.67) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL6151793 0.82 FFAR4 (0.60) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL28711028 0.81 ALDH1A1 (0.70) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL29978640 0.77 HSD17B2 (0.67) CRHBPCRHR2FFAR4ALDH1A1HPGD
SCHEMBL29507647 0.77 MAPT (0.69) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL28701969 0.77 ALDH1A1 (0.64) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL1138740 0.77 MAPT (0.69) CRHBPCRHR2FFAR4MAPTALDH1A1
SCHEMBL10618991 0.77 FFAR4 (1.00) FFAR4MAPTALDH1A1LMNAHTT
SCHEMBL8309888 0.77 CRHBP (1.00) CRHBPCRHR2MAPTALDH1A1DNMT1
SCHEMBL11056416 0.77 CRHBP (0.71) CRHBPCRHR2FFAR4MAPTALDH1A1

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 4 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-4419101-A Chlorine-substituted nitro-para-phenylenediamines, a process for their preparation and their use in dyeing keratin fibres L'OREAL (FR) 1983-12-06 — — US disclosed
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