Nitric Acid

Nitric Acid

SCHEMBL1411

N=C(N)Nc1cccc(OC(F)(F)C(F)F)c1.O=[N+]([O-])O

nearest known ligand 0.48

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
EPHX2 P34913 1/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
BRAF P15056 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
PRKCA P17252 1/20 0.39

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 SCHEMBL1590 0.89 MAPT (0.50) EPHX2LMNAPOLBMEN1KMT2A
Nitric Acid SCHEMBL1363033 0.79 PLAU (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL10310240 0.79 ALDH1A1 (0.52) EPHX2LMNAPOLBMAPTHTT
Nitric Acid SCHEMBL1412 0.78 HTR3E (0.48) EPHX2LMNAPOLBMAPTHTT
Nitric Acid SCHEMBL4479271 0.77 ALDH1A1 (0.55) LMNAMEN1KMT2AMAPTHTT
SCHEMBL10652484 0.76 GRM4 (0.55) EPHX2LMNAPOLBMEN1KMT2A
SCHEMBL17680498 0.75 LMNA (0.62) EPHX2LMNAPOLBBRAFMEN1
Nitric Acid SCHEMBL1363668 0.74 MEN1 (0.50) LMNAPOLBMEN1KMT2AMAPT
Nitric Acid SCHEMBL6033233 0.74 MEN1 (0.50) LMNAPOLBMEN1KMT2AMAPT
Phenylguanidine SCHEMBL2847797 0.73 MAPT (0.50) EPHX2LMNAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564409-B1 Pyrimidin derivatives and process for their preparation NOVARTIS AG (CH) 2000-01-19 EP disclosed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
US-5543520-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1996-08-06 US disclosed
US-5521184-A ANTITUMOR AGENTS; imatinib mesylate CIBA-GEIGY CORPORATION (US) 1996-05-28 US disclosed
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
EP-0672040-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION Novartis AG (CH) 1995-09-20 EP disclosed
EP-0653425-A1 1-(2-Fluorocyclopropyl)-quinolone- and naphthyridone carboxylic acid derivatives, their preparation and their use as antibacterials BAYER AG (DE) 1995-05-17 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed
WO-1995009852-A1 FURTHER PYRIMIDINE DERIVATIVES AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed