Nitric Acid

Nitric Acid

SCHEMBL9344153

O=[N+]([O-])O.O=[N+]([O-])OCC1CCNCC1

nearest known ligand 0.34

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
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL8260874 0.94 TDP1 (0.36) TDP1MMP2MMP9SLC6A1GABRA5
SCHEMBL9875012 0.80 ALDH1A1 (0.40) MMP2MMP9GSRALDH1A1TSHR
SCHEMBL23829716 0.80
SCHEMBL6438537 0.80 ALDH1A1 (0.40) MMP2MMP9GSRALDH1A1TSHR
SCHEMBL9799676 0.77 GABRP (0.40) TDP1MMP2MMP9GABRA5GABRB2
SCHEMBL8957450 0.76
SCHEMBL8259490 0.76 MMP2 (0.38) MMP2MMP9SLC6A4ALDH1A1
SCHEMBL9799802 0.74 ITGB3 (0.40) MMP2MMP9GABRA5GABRB2GABRA1
SCHEMBL9799584 0.74 MAPT (0.34) MMP2MMP9ALDH1A1
SCHEMBL8957322 0.74 CCNA2 (0.41) MMP2MMP9GSRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 US disclosed