Nitric Acid

Nitric Acid

SCHEMBL1412

NC(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
HTR3E A5X5Y0 5/20 0.48
HTR3B O95264 5/20 0.48
HTR3A P46098 5/20 0.48
HTR3D Q70Z44 5/20 0.48
HTR3C Q8WXA8 5/20 0.48
TAAR1 Q96RJ0 1/20 0.47
HGFAC Q04756 1/20 0.41
CETP P11597 3/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
FURIN P09958 2/20 0.38
MAPT P10636 3/20 0.38
PLAU P00749 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.36

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 SCHEMBL1591 0.88 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2913167 0.78 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1411 0.78 EPHX2 (0.48) MAPTEPHX2LMNAPOLBHTT
Nitric Acid SCHEMBL5733225 0.75 HTR3E (0.79) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL1363670 0.73 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9190260 0.72 TSHR (0.50) CETPMAPTLMNAHTT
Nitric Acid SCHEMBL7234964 0.72 MAOB (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL5471239 0.71 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11531834 0.71 MAPT (0.40) CETPMAPTEPHX2LMNAPOLB
Nitric Acid SCHEMBL1368 0.70 HTR3E (0.72) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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