Nitric Acid

Nitric Acid

SCHEMBL28200780

Cc1cc(C)c(NN)c(C)c1.O=[N+]([O-])O

nearest known ligand 0.43

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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 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
GPR35 Q9HC97 1/20 0.39
FFAR4 Q5NUL3 4/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3212255 0.82 RAPGEF4 (0.60) RAPGEF4ALDH1A1LMNAFFAR4
Hydrochloric Acid SCHEMBL2071013 0.80 RAPGEF4 (0.57) RAPGEF4ALDH1A1LMNAFFAR4
Sulfuric Acid SCHEMBL28200703 0.79 RAPGEF4 (0.46) RAPGEF4ALDH1A1GAALMNAFFAR4
Nitric Acid SCHEMBL28348863 0.75 TSHR (0.62) ALDH1A1GAALMNAGPR35TSHR
SCHEMBL11688261 0.69 TDP1 (0.39) ALDH1A1GAALMNATSHRCYP3A4
SCHEMBL11774357 0.68 RAPGEF4 (0.53) RAPGEF4ALDH1A1HPGDLMNATSHR
SCHEMBL11334768 0.68 RAPGEF4 (0.48) RAPGEF4ALDH1A1LMNA
Nitric Acid SCHEMBL20984881 0.68 KMT2A (0.39) RAPGEF4ALDH1A1GAALMNAMEN1
Nitric Acid SCHEMBL20985017 0.68 ALDH1A1 (0.47) ALDH1A1GAAHPGDLMNATSHR
Nitric Acid SCHEMBL20984069 0.68 CYP3A4 (0.34) ALDH1A1GAATSHRCYP3A4MEN1

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