Peroxynitrite

Peroxynitrite

SCHEMBL28967147

O=NOO.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL1479104 0.86 GPR35 (0.59) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL69964 0.86 GPR35 (0.59) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL29780335 0.84 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1MAPT
Ammonia Solution, Strong SCHEMBL11020682 0.84 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL9724485 0.84 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1MAPT
Methyl Alcohol SCHEMBL29086960 0.82 GPR35 (0.59) GPR35ALDH1A1KDM4EMEN1MAPT
Potassium Ion SCHEMBL1477825 0.82 GPR35 (0.55) GPR35ALDH1A1KDM4EMEN1MAPT
Guanidine SCHEMBL4221122 0.81 GPR35 (0.50) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL4973651 0.78 GPR35 (0.55) GPR35ALDH1A1KDM4EMEN1MAPT
SCHEMBL2528598 0.76 GPR35 (0.48) GPR35ALDH1A1KDM4EMEN1MAPT

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
CN-115784943-A Method for improving preparation selectivity of 2-sulfonic-4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2023-03-14 CN disclosed