Nitric Acid

Nitric Acid

SCHEMBL9218571

CC(N)C(O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1.O=[N+]([O-])O

nearest known ligand 0.42

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
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL10495741 0.82 MAPT (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL9220097 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTKMT2AMEN1
Nitric Acid SCHEMBL9220102 0.74 GSR (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6441607 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6824923 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL18383388 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL353942 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL811522 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL352795 0.73 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL31568880 0.72 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed