Nitric Acid

Nitric Acid

SCHEMBL7813484

Cc1cccc(N=C(N)N)c1.O=[N+]([O-])O

nearest known ligand 0.77

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
HTR3E A5X5Y0 8/20 0.77
HTR3B O95264 8/20 0.77
HTR3A P46098 8/20 0.77
HTR3D Q70Z44 8/20 0.77
HTR3C Q8WXA8 8/20 0.77
SIGMAR1 Q99720 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
PLAU P00749 4/20 0.47
SLC22A2 O15244 3/20 0.47
SLC22A1 O15245 3/20 0.47
SLC22A3 O75751 3/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 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
SCHEMBL1885159 0.88 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5034246 0.82 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5471239 0.81 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1363670 0.80 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL3250038 0.80 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2862598 0.80 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1368 0.80 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2913167 0.80 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5733225 0.80 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Phenylguanidine SCHEMBL6129042 0.78 PLAU (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
CN-1047776-C Pharmacologically active pyridine derivatives and processes for the preparation thereof NOVARTIS AG (CH) 1999-12-29 CN disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US disclosed
CN-1115982-A pyridine derivatives having pharmacological activity and preparation method thereof CIBA GEIGY AG (CH) 1996-01-31 CN disclosed
EP-0672041-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009853-A1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 WO disclosed