SCHEMBL4373852

SCHEMBL4373852

CC(O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
GPR35 Q9HC97 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.42
CYP1A2 P05177 3/20 0.42
GLA P06280 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3847746 0.89 TDP1 (0.48) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL27585506 0.83 ALDH1A1 (0.45) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL888202 0.82 ALDH1A1 (0.57) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL6256628 0.82 ALDH1A1 (0.57) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL31146698 0.82 ALDH1A1 (0.57) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL889733 0.82 ALDH1A1 (0.57) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL2065608 0.82 ALDH1A1 (0.57) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL12920009 0.81 ALDH1A1 (0.44) TDP1GPR35ALDH1A1MAPTCYP1A2
SCHEMBL6676584 0.81 TDP1 (0.62) TDP1GPR35ALDH1A1MAPTCYP1A2
Methyl Alcohol SCHEMBL6832436 0.80 ALDH1A1 (0.56) TDP1GPR35ALDH1A1MAPTCYP1A2

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-2074986-B1 Process for treating hair fibres using polysiloxane/polyurea OREAL (FR) 2013-05-15 EP disclosed
EP-2074986-A1 Process for treating hair fibres using polysiloxane/polyurea L'Oréal (FR) 2009-07-01 EP disclosed
CN-101242876-A Oxidizing hair coloring agents containing m-aminophenol derivatives PROCTER & GAMBLE (US) 2008-08-13 CN disclosed
EP-1935404-A1 Composition for dyeing keratinous fibres comprising a polysiloxane-polyurea block copolymer L'Oréal (FR) 2008-06-25 EP disclosed
EP-1844816-A2 Dyeing composition comprising at least one electrophilic monomer, one hydrophilic dye and one liquid organic solvent L'Oréal (FR) 2007-10-17 EP disclosed