Nitric Acid

Nitric Acid

SCHEMBL9875748

O=[N+]([O-])O.OCCc1cccs1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL150608 0.86
SCHEMBL28482425 0.84
SCHEMBL27822978 0.84
Methane SCHEMBL8089297 0.84
Hydrochloric Acid SCHEMBL28485453 0.82 TAAR1 (0.56) TAAR1ADRA2AADRA2BADRA2CNPC1
Ethane SCHEMBL8092722 0.82 TAAR1 (0.56) TAAR1ADRA2AADRA2BADRA2CNPC1
Propane SCHEMBL8088262 0.80 TAAR1 (0.54) TAAR1ADRA2AADRA2BADRA2CNPC1
Butane SCHEMBL8089205 0.79 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CNPC1
Magnesium Chloride Anhydrous SCHEMBL28485452 0.79 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CNPC1
SCHEMBL6639838 0.79 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CTHRB

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-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed