SCHEMBL2880608

SCHEMBL2880608

CCc1cc(N)c([N+](=O)[O-])cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
SNCA P37840 1/20 0.50
ALOX15 P16050 3/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 6/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MCL1 Q07820 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL5952479 0.85 POLB (0.52) ALDH1A1CYP3A4ALOX15MAPTPOLB
SCHEMBL6835952 0.85 POLB (0.52) ALDH1A1CYP3A4SNCAALOX15MAPT
SCHEMBL11057069 0.83 MAPT (0.50) ALDH1A1CYP3A4ALOX15MAPTPOLB
SCHEMBL13375170 0.81 MAPT (0.45) ALDH1A1CYP3A4ALOX15MAPTPOLB
SCHEMBL14659288 0.80 TSHR (0.50) ALDH1A1CYP3A4ALOX15MAPTPOLB
SCHEMBL56971 0.80 SNCA (0.52) ALDH1A1CYP3A4SNCAALOX15ALOX12
SCHEMBL6834085 0.79 MAPT (0.50) ALDH1A1CYP3A4SNCAALOX15MAPT
SCHEMBL10930822 0.79 ALDH1A1 (0.58) ALDH1A1CYP3A4SNCAALOX15MAPT
SCHEMBL6028713 0.79 SNCA (0.50) ALDH1A1CYP3A4SNCAALOX15ALOX12
SCHEMBL13375180 0.78 POLB (0.46) ALDH1A1CYP3A4ALOX15MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049624-A2 METHOD FOR PROTECTING COLOUR AGAINST THE WASHING OF ARTIFICIALLY-DYED KERATIN FIBRES, COMPRISING THE APPLICATION OF AN AROMATIC POLYCARBOXYLIC ACID AND HEAT, AND DYING METHODS L'OREAL (FR) 2010-05-06 WO disclosed