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Nitric Acid

Nitric Acid

SCHEMBL3282016

CCn1ncc2c(NC3CCN(C(N)=O)CC3)c(C(=O)NCc3ccc(C)c(C)c3)cnc21.O=[N+]([O-])O

nearest known ligand 0.56

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
▸ PDE4B Q07343 12/20 0.56
▸ PDE4D Q08499 6/20 0.47
▸ NR3C1 P04150 1/20 0.45

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
SCHEMBL3282008 0.96 PDE4B (0.61) PDE4BPDE4DNR3C1
Bromide SCHEMBL3285815 0.95 PDE4B (0.60) PDE4BPDE4DNR3C1
Hydrochloric Acid SCHEMBL3282426 0.95 PDE4B (0.60) PDE4BPDE4DNR3C1
Phosphoric Acid SCHEMBL3282705 0.93 PDE4B (0.58) PDE4BPDE4DNR3C1
SCHEMBL3284167 0.93 PDE4B (0.58) PDE4BPDE4D
Sulfuric Acid SCHEMBL3283939 0.93 PDE4B (0.58) PDE4BPDE4D
SCHEMBL3282409 0.92 PDE4B (0.57) PDE4BPDE4D
SCHEMBL5173840 0.92 PDE4B (0.58) PDE4BPDE4DNR3C1
SCHEMBL4938151 0.92 PDE4B (0.58) PDE4BPDE4DNR3C1
SCHEMBL3290151 0.90 PDE4B (0.54) PDE4BPDE4DNR3C1

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
US-7709497-B2 Pyrazolo[3,4-b]pyridine compound, and its use as a PDE4 inhibitor GLAXO GROUP LIMITED (GB) 2010-05-04 — — US claimed