Nitrophenolate

Nitrophenolate

SCHEMBL9314441

O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1[N+](=O)[O-].O=[N+]([O-])c1cccc(O)c1[N+](=O)[O-].O=[N+]([O-])c1ccccc1O

nearest known ligand 0.77

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.77
CTSB P07858 1/20 0.50
TSHR P16473 3/20 0.47
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10727444 0.95 GPR35 (0.85) GPR35CTSBTSHRCSNK2A2CSNK2B
Nitrophenolate SCHEMBL27762994 0.93 GPR35 (0.89) GPR35CTSBTSHRMAPTALDH1A1
SCHEMBL29516730 0.88 GPR35 (1.00) GPR35CTSBTSHRCSNK2A2CSNK2B
SCHEMBL16979 0.88 GPR35 (1.00) GPR35CTSBTSHRCSNK2A2CSNK2B
SCHEMBL5492558 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B
SCHEMBL18938545 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B
Ammonia Solution, Strong SCHEMBL4427722 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B
Fluoride SCHEMBL8639543 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B
Ammonia Solution, Strong SCHEMBL30775489 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B
SCHEMBL27287865 0.86 GPR35 (0.96) GPR35CTSBTSHRCSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342646-A Coating solid support with polymer mixture; bonding ROHM GMBH (DE) 1994-08-30 US disclosed
US-5104931-A Reacting purified antibody with a buffered periodate solution in the presence of a polymer carrier modified with adipic acid dihydrazide ROHM GMBH CHEMISCHE FABRIK (DE) 1992-04-14 US disclosed