SCHEMBL27642633

SCHEMBL27642633

O=[N+]([O-])c1cc(Cc2ccccc2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 3/20 0.51
MAPK1 P28482 3/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TTR P02766 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL8405920 0.87 GPR35 (0.50) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
SCHEMBL68433 0.85 GPR35 (0.63) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
SCHEMBL14303062 0.84 GPR35 (0.57) GPR35ALDH1A1MEN1KMT2ATDP1
SCHEMBL13120858 0.84 MEN1 (0.50) GPR35ALDH1A1CYP1A2HIF1AMEN1
SCHEMBL5248985 0.80 CYP1A2 (0.59) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
SCHEMBL1275610 0.80 CYP1A2 (0.56) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
SCHEMBL28691353 0.79 ALDH1A1 (0.55) ALDH1A1CYP2C9HIF1AHSD17B10CYP2D6
Trinitrophenol SCHEMBL31588669 0.78 GPR35 (0.73) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
SCHEMBL5083326 0.77 GPR35 (0.62) GPR35ALDH1A1CYP1A2MAPK1CYP2C9
Trinitrophenol SCHEMBL27538937 0.77 CRHBP (0.62) GPR35ALDH1A1CYP1A2MAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105683095-A Desalination system and related methods 格雷迪安特公司 2016-06-15 CN disclosed
CN-1890379-B Method for measuring glycated amine ARKRAY INC 2013-06-19 CN disclosed
CN-1890379-A Method for measuring glycated amine ARKRAY INC (JP) 2007-01-03 CN disclosed