Nitric Acid

Nitric Acid

SCHEMBL9872245

O=[N+]([O-])O.O=[N+]([O-])O.OCC(CO)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

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 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.51
NPC1 O15118 1/20 0.38
ADAM17 P78536 1/20 0.38
TRPA1 O75762 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CPA1 P15085 3/20 0.35
ACP3 P15309 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL9875014 0.85 TRPA1 (0.45) GSRTRPA1LMNACYP2D6SRC
Nitric Acid SCHEMBL9874855 0.82 GSR (0.56) GSRNPC1ADAM17TRPA1ALDH1A1
Nitric Acid SCHEMBL9803283 0.78 GSR (0.53) GSRNPC1ALDH1A1LMNAMEN1
Nitric Acid SCHEMBL9875712 0.74 GSR (0.49) GSRNPC1ADAM17TRPA1MEN1
Nitric Acid SCHEMBL9875242 0.74 LMNA (0.41) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL10238609 0.74 LMNA (0.50) TRPA1LMNAMEN1KMT2A
SCHEMBL9872237 0.73 GSR (0.47) GSRNPC1ADAM17ALDH1A1LMNA
Nitric Acid SCHEMBL9838314 0.73 ALDH1A1 (0.47) GSRALDH1A1LMNAMEN1KMT2A
SCHEMBL3336779 0.72 GSR (0.55) GSRNPC1ADAM17TRPA1ALDH1A1
SCHEMBL28658720 0.72 SRC (0.40) GSRTRPA1ALDH1A1LMNAKMT2A

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