Nitric Acid

Nitric Acid

SCHEMBL7804174

COc1ccc(Cl)cc1N=C(N)N.O=[N+]([O-])O

nearest known ligand 0.63

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 2/20 0.63
HTR3B O95264 2/20 0.63
HTR3A P46098 2/20 0.63
HTR3D Q70Z44 2/20 0.63
HTR3C Q8WXA8 2/20 0.63
SLC9A1 P19634 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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 SCHEMBL3860675 0.83 TDP1 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7811356 0.81 ALDH1A1 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7813154 0.80 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL4915048 0.79 PLAU (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL28380031 0.77 MEN1 (0.54) MAPTKDM4EALDH1A1POLBCYP1A2
Nitric Acid SCHEMBL6955447 0.76 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2910175 0.72 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL7804171 0.72 MEN1 (0.56) MAPTKDM4EALDH1A1POLBCYP1A2
SCHEMBL14256919 0.71 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11879085 0.71 PLAU (0.60) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2

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-0672041-B1 PHARMACOLOGICALLY ACTIVE PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2001-11-14 EP disclosed
US-5728708-A ANTITUMOR AGENTS NOVARTIS CORPORATION (US) 1998-03-17 US 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