SCHEMBL9499752

SCHEMBL9499752

COc1ccc([N+](=O)[O-])c(NCC(O)CO)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
MAPT P10636 9/20 0.48
LMNA P02545 3/20 0.48
ALPG P10696 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
DCTPP1 Q9H773 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9760552 0.89 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
Hydrochloric Acid SCHEMBL9759792 0.88 SMN1; SMN2 (0.50) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL11049649 0.87 MAPT (0.59) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL11045778 0.86 GLA (0.42) SMN1; SMN2MAPTLMNAKMT2ANPC1
SCHEMBL10577117 0.83 GLA (0.43) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL21315653 0.82 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL29961863 0.82 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL10580319 0.81 MAPT (0.58) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL314659 0.81 SMN1; SMN2 (0.54) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3
SCHEMBL314657 0.81 SMN1; SMN2 (0.54) SMN1; SMN2AKR1B10AKR1B1AKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4466806-A Dyeing compositions containing 3-amino-4-nitroanisole derivatives and their use in dyeing keratin fibres as well as certain new said derivatives L'OREAL (FR) 1984-08-21 US claimed
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed
US-5085666-A NITROANILINES AND HAIR-DYEING COMPOSITIONS IN WHICH THEY ARE PRESENT L'OREAL (FR) 1992-02-04 US disclosed
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed
US-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US disclosed
US-4973757-A Process for the preparation of nitroanilines L'OREAL (FR) 1990-11-27 US disclosed
US-4904276-A Nitroaminophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate nitroaminobenzenes and their use in dyeing keratinous fibres L'OREAL (FR) 1990-02-27 US disclosed
US-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US disclosed
US-4466806-A Dyeing compositions containing 3-amino-4-nitroanisole derivatives and their use in dyeing keratin fibres as well as certain new said derivatives L'OREAL (FR) 1984-08-21 US 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