SCHEMBL9694476

SCHEMBL9694476

CCOc1cc(OCC)c([N+](=O)[O-])c(OCC)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MAPT P10636 7/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 8/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 6/20 0.39
CYP3A4 P08684 1/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
ACMSD Q8TDX5 1/20 0.38

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
SCHEMBL1502252 0.83 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10898948 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5691490 0.81 MAPT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28589207 0.79 KMT2A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28334914 0.79 MAPT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4784434 0.77 PKM (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5233148 0.77 MAPT (0.49) MAPTLMNAALDH1A1TSHRKMT2A
SCHEMBL27946723 0.76 MAPT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19548247 0.76 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30804568 0.75 GRIN2D (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP disclosed
US-5002585-A HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES L'OREAL (FR) 1991-03-26 US disclosed
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 EP disclosed