SCHEMBL5718554

SCHEMBL5718554

Cc1cc([N+](=O)[O-])c(N)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 4/20 0.49
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR35 Q9HC97 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL29960028 0.92 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL200006 0.92 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL11809474 0.84 L3MBTL1 (0.59) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL348272 0.84 TSHR (0.59) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL4368022 0.84 GPR35 (0.54) TSHRALDH1A1CYP3A4ALOX15RECQL
SCHEMBL29535223 0.82 GPR35 (0.52) TSHRALDH1A1CYP3A4ALOX15RECQL
SCHEMBL10488867 0.82 TSHR (0.57) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
SCHEMBL799388 0.82 GPR35 (0.52) TSHRALDH1A1CYP3A4ALOX15RECQL
SCHEMBL7461987 0.82 TSHR (0.57) TSHRALDH1A1CYP3A4ALOX15L3MBTL1
Nitrobenzene SCHEMBL10937158 0.81 TSHR (0.49) TSHRALDH1A1CYP3A4ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 EP disclosed
CN-1191051-C Application of cation mono-benzol nitrophenylamine in keratin fiber dyeing dye composition and dyeing method OREAL (FR) 2005-03-02 CN disclosed
US-6478827-B1 Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes L'ORéAL S.A. (FR) 2002-11-12 US disclosed
CN-1267510-A Application of cation mono-benzol nitrophenylamine in keratin fiber dyeing dye composition and dyeing method OREAL (FR) 2000-09-27 CN disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 EP disclosed