Nitric Acid

Nitric Acid

SCHEMBL9854098

O=C(Nc1ccn2c1CSC2c1cccnc1)c1ccccc1.O=[N+]([O-])O

nearest known ligand 0.58

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 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.58
TBXAS1 P24557 2/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9853930 0.94 PTAFR (0.64) PTAFRTBXAS1ALDH1A1
SCHEMBL9854104 0.90 PTAFR (0.67) PTAFRTBXAS1
SCHEMBL9854014 0.89 PTAFR (0.59) PTAFRTBXAS1
SCHEMBL9854108 0.88 PTAFR (0.56) PTAFRTBXAS1
SCHEMBL9853959 0.87 PTAFR (0.55) PTAFRTBXAS1ALDH1A1
Water SCHEMBL9853942 0.86 PTAFR (0.72) PTAFRTBXAS1
SCHEMBL9853924 0.86 PTAFR (0.72) PTAFR
SCHEMBL9854105 0.86 PTAFR (0.72) PTAFR
SCHEMBL9853936 0.86 PTAFR (0.61) PTAFRTBXAS1
SCHEMBL9854126 0.85 PTAFR (0.54) PTAFRTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed