SCHEMBL8749133

SCHEMBL8749133

Nc1ccc(Cl)c(O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GPR35 Q9HC97 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
S100A4 P26447 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 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
Hydrochloric Acid SCHEMBL11088603 0.98 ALDH1A1 (0.43) ALDH1A1CYP3A4GAATHRBHSD17B10
SCHEMBL9139396 0.84 TSHR (0.46) ALDH1A1CYP3A4HSD17B10GPR35TSHR
SCHEMBL8069993 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10KMT2AMEN1
SCHEMBL9703411 0.80 TSHR (0.54) ALDH1A1CYP3A4HSD17B10KMT2AMEN1
SCHEMBL8311313 0.80 GAA (0.55) ALDH1A1CYP3A4GAATHRBHSD17B10
SCHEMBL23152122 0.77 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10KMT2AMEN1
SCHEMBL102206 0.77 TSHR (0.45) ALDH1A1HSD17B10GPR35KMT2AMEN1
SCHEMBL2371812 0.77 TSHR (0.52) ALDH1A1CYP3A4GAATHRBHSD17B10
SCHEMBL31330060 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10KMT2AMEN1
SCHEMBL28187713 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD17B10GPR35TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP disclosed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US disclosed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP disclosed
US-4473374-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1984-09-25 US disclosed
US-4425132-A HAIR DYES, APPLYING WITHOUT RINSING L'OREAL (FR) 1984-01-10 US disclosed
US-4330291-A Nitrated coupler compounds useful in direct dyeing and simultaneous oxidation and direct dyeing of keratinic fibers SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-18 US disclosed