Nitric Acid

Nitric Acid

SCHEMBL9875712

O=[N+]([O-])O.OCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

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 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.49
CNR1 P21554 3/20 0.44
CNR2 P34972 2/20 0.44
HRH1 P35367 6/20 0.43
TRPA1 O75762 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR2A P28223 5/20 0.41
EPHX2 P34913 2/20 0.41
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAM17 P78536 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL128570 0.85 HRH1 (0.56) CNR1CNR2HRH1TRPA1MTNR1A
Nitric Acid SCHEMBL9874855 0.83 GSR (0.56) GSRCNR1CNR2TRPA1HTR2A
Ammonia Solution, Strong SCHEMBL28849214 0.83 HRH1 (0.54) CNR1CNR2HRH1TRPA1MTNR1A
SCHEMBL30576722 0.78 CNR1 (0.54) CNR1CNR2NPC1MEN1KMT2A
SCHEMBL11130514 0.78 GSR (0.47) GSRCNR1CNR2TRPA1NPC1
Nitric Acid SCHEMBL9803283 0.76 GSR (0.53) GSRNPC1MEN1KMT2A
SCHEMBL5604418 0.75 LMNA (0.53) CNR1CNR2HRH1TRPA1MTNR1A
SCHEMBL5490855 0.75 CHRNB2 (0.57) HRH1TRPA1HTR2A
Nitric Acid SCHEMBL9872245 0.74 GSR (0.51) GSRTRPA1NPC1MEN1KMT2A
SCHEMBL6011425 0.74 CCR2 (0.49) EPHX2CCR2

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 3 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 claimed
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