Nitric Acid

Nitric Acid

SCHEMBL6981278

O=[N+]([O-])O.O=c1c(Cc2cccnc2)cn2c3cc(Br)ccc3c3cc(OCCCO)cc1c32

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRA5 P31644 1/20 0.34
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
TBXAS1 P24557 1/20 0.31
PTAFR P25105 1/20 0.31
PLA2G7 Q13093 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1961296 0.95 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
Hydrochloric Acid SCHEMBL6977314 0.94 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
Sulfuric Acid SCHEMBL6983443 0.92 GABRA1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7668963 0.92 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7084093 0.91 MCL1 (0.35) GABRA1GABRA5FPR1FPR2TBXAS1
Fumaric Acid SCHEMBL6982366 0.90 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
Maleic Acid SCHEMBL6982359 0.90 TBXAS1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL6981281 0.90 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2GABRA1GABRA5
SCHEMBL6978829 0.89 GABRA1 (0.36) GABRA1GABRA5FPR1FPR2TBXAS1
SCHEMBL7671370 0.88 GABRA1 (0.34) GABRA1GABRA5FPR1FPR2TBXAS1

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-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed