Nitric Acid

Nitric Acid

SCHEMBL9220102

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

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
GSR P00390 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 3/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
Nitric Acid SCHEMBL10435474 0.81 NPC1 (0.46) GSRALDH1A1KDM4ENPC1TSHR
Nitric Acid SCHEMBL9218571 0.74 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1CA12CA1
SCHEMBL334438 0.73 ALDH1A1 (0.68) ALDH1A1LOXL2KDM4ENPC1CA12
SCHEMBL7150447 0.73 ALDH1A1 (0.68) ALDH1A1LOXL2KDM4ENPC1CA12
SCHEMBL4942727 0.73 ALDH1A1 (0.68) ALDH1A1LOXL2KDM4ENPC1CA12
SCHEMBL8204965 0.72 LOXL2 (0.55) ALDH1A1LOXL2IDO1KDM4ECA12
Hydrochloric Acid SCHEMBL26098210 0.71 ALDH1A1 (0.66) ALDH1A1LOXL2KDM4ENPC1CA12
SCHEMBL18833848 0.71 LOXL2 (0.53) ALDH1A1LOXL2IDO1KDM4ENPC1
Hydrochloric Acid SCHEMBL10687747 0.71 LOXL2 (0.53) ALDH1A1LOXL2IDO1KDM4ECA12
SCHEMBL942066 0.71 LOXL2 (0.53) ALDH1A1LOXL2IDO1KDM4ENPC1

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