Benzene

Benzene

SCHEMBL6151758

Nc1ccccc1N[N+](=O)[O-].c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA9 Q16790 2/20 0.46
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC2 Q92769 4/20 0.44
MAPK1 P28482 2/20 0.44
GFER P55789 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL45337 0.98 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL7865188 0.89 CA9 (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL11440572 0.73 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL950729 0.72 MAPK1 (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL30335 0.72 NPC1 (0.49) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL2333439 0.72 HSD17B10 (0.48) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL7208909 0.72 MAPK1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6852072 0.72 RAB9A (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11045869 0.72 MEN1 (0.43) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31374378 0.72 MAPK1 (0.49) MAPTALDH1A1MEN1KMT2ALMNA

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 7 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 claimed
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 claimed
CN-1191049-C Cationic monophenyl-nitro-diamino compounds and use in dyeing cutin fiber, dyeing composition containing said matter OREAL (FR) 2005-03-02 CN 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
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
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
CN-1261529-A Cationic monophenyl-nitro-diamino compounds and use in dyeing cutin fiber, dyeing composition containing said matter OREAL (FR) 2000-08-02 CN disclosed