SCHEMBL8917959

SCHEMBL8917959

COc1c(Cl)cc([N+](=O)[O-])c(OC)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
TSHR P16473 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
TPMT P51580 1/20 0.44
MCL1 Q07820 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
RAF1 P04049 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8146904 0.87 ALDH1A1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27185351 0.85 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17744425 0.82 ALDH1A1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9461987 0.81 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10984988 0.80 GPR35 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10977432 0.80 TDP1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6701537 0.80 TSHR (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28043007 0.79 MAPK1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9461274 0.78 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9461403 0.78 MAPT (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4865619-A Use, as a coupler, of 2,4-diamino-1,3-dimethoxybenzene or one of its salts, in combination with oxidation dye precursors, for dyeing human hair, hair dyeing composition containing the said coupler and process for preparing the said coupler L'OREAL (FR) 1989-09-12 US claimed
JP-9118656-A None JP disclosed
JP-1063508-A None JP disclosed
JP-H09118656-A PRODUCTION OF 2,4-DIAMINO-1,3-DIMETHOXYBENZENE L'OREAL SA 1997-05-06 JP disclosed
US-RE34300-E Hair dye L'OREAL (FR) 1993-07-06 US disclosed
EP-0295474-B1 CHLOROMETAPHENYLENEDIAMINES, THEIR USE AS COUPLING AGENTS IN OXYDATION COLOURING OF KERATINIC FIBRES, COLOURITY COMPOSITIONS FOR HAIR CONTAINING THESE COMPOUNDS AND COLOURING PROCESS USING THESE COMPOSITIONS L'OREAL (FR) 1991-07-17 EP disclosed
EP-0294669-B1 METAPHENYLENDIAMINES, PROCESS FOR THEIR PREPARATION, INTERMEDIATE COMPOUNDS AND USE OF THESE METAPHENYLENDIAMINES AS COUPLERS IN OXYDATIVE COLOURING OF KERATINIC FIBRES ESPECIALLY OF HUMAN HAIR L'OREAL (FR) 1991-07-17 EP disclosed
US-5015772-A Hair dyes L'OREAL (FR) 1991-05-14 US disclosed
US-4960432-A Meta-phenylenediamines, process for preparation thereof, intermediate compounds and use of these meta-phenylenediamines as couplers for the oxidation dyeing of keratinous fibres and especially human hair L'OREAL (FR) 1990-10-02 US disclosed
US-4865619-A Use, as a coupler, of 2,4-diamino-1,3-dimethoxybenzene or one of its salts, in combination with oxidation dye precursors, for dyeing human hair, hair dyeing composition containing the said coupler and process for preparing the said coupler L'OREAL (FR) 1989-09-12 US disclosed
US-4865618-A New chloro-meta-phenylenediamines, their use as couplers in the oxidation dyeing of keratinous fibres, dyeing compositions for hair containing these compounds and dyeing process using the said L'OREAL (FR) 1989-09-12 US disclosed
JP-S6463508-A MANUFACTURE OF 2,4-DIAMINO-1,3-DIMETHOXYBENZENE AND HAIR DYE COMPOSITION OREAL 1989-03-09 JP disclosed
EP-0295474-A1 Chlorometaphenylenediamines, their use as coupling agents in oxydation colouring of keratinic fibres, colourity compositions for hair containing these compounds and colouring process using these compositions L'OREAL (FR) 1988-12-21 EP disclosed
EP-0294669-A1 Metaphenylendiamines, process for their preparation, intermediate compounds and use of these metaphenylendiamines as couplers in oxydative colouring of keratinic fibres especially of human hair L'OREAL (FR) 1988-12-14 EP disclosed