Nitric Acid

Nitric Acid

SCHEMBL28200067

Clc1ccc(Cl)c(Cl)c1.NN.O=[N+]([O-])O

nearest known ligand 0.58

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Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.58
TSHR P16473 8/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 5/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
Hydrazine SCHEMBL28200066 0.82 TP53 (0.88) TP53TSHRMAPK1HSD17B10ALDH1A1
Hydrazine SCHEMBL28200142 0.79 TP53 (0.82) TP53TSHRMAPK1HSD17B10ALDH1A1
Sulfuric Acid SCHEMBL28200091 0.78 TP53 (0.64) TP53TSHRHSD17B10ALDH1A1FLT1
Phosphoric Acid SCHEMBL28200084 0.78 TP53 (0.64) TP53TSHRHSD17B10ALDH1A1FLT1
Oxalic Acid SCHEMBL28856224 0.78 TP53 (0.64) TP53TSHRMAPK1HSD17B10ALDH1A1
1,2-Dichlorobenzene SCHEMBL28200720 0.78 LMNA (0.50) TSHRMAPK1HSD17B10ALDH1A1CYP3A4
Nitric Acid SCHEMBL20984758 0.77 MAPT (0.50) TSHRMAPK1ALDH1A1KDM4EMAPT
Nitric Acid SCHEMBL20984328 0.77 CA1 (0.50) TP53TSHRMAPK1ALDH1A1KDR
1,3,5-Trichlorobenzene SCHEMBL28200723 0.77 ALDH1A1 (0.48) TP53TSHRMAPK1ALDH1A1CYP3A4
1,4-Dichlorobenzene SCHEMBL29002852 0.77 FBP1 (0.52) TSHRMAPK1ALDH1A1CYP3A4TDP1

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-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed