Nitric Acid

Nitric Acid

SCHEMBL9874923

O=[N+]([O-])O.O=[N+]([O-])O.OCC(O)COc1ccccc1

nearest known ligand 0.54

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
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP2D6 P10635 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
AGTR1 P30556 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL117951 0.88 TSHR (0.62) MEN1KMT2AMAPK1TSHRLMNA
SCHEMBL4619478 0.88 TSHR (0.62) MEN1KMT2AMAPK1TSHRLMNA
SCHEMBL6480727 0.88 TSHR (0.62) MEN1KMT2AMAPK1TSHRLMNA
Bicarbonate SCHEMBL27926288 0.86 TSHR (0.57) MAPK1TSHRLMNACYP2D6L3MBTL1
SCHEMBL8994531 0.81 TSHR (0.56) MAPK1TSHRLMNACYP2D6L3MBTL1
SCHEMBL1496800 0.81 TSHR (0.56) MAPK1TSHRLMNACYP2D6L3MBTL1
SCHEMBL1496537 0.80 GAA (0.68) MEN1KMT2AMAPK1LMNATDP1
SCHEMBL29212651 0.79 MTNR1A (0.54) MAPK1TSHRLMNACYP2D6ADRB2
Acrylic Acid SCHEMBL7712488 0.79 TSHR (0.50) MAPK1TSHRLMNACYP2D6L3MBTL1
SCHEMBL6482493 0.78 TSHR (0.57) MEN1KMT2AMAPK1TSHRLMNA

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