SCHEMBL8668631

SCHEMBL8668631

O=C(O)N([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL28228406 0.71 CA5A (0.33) CA5ACA5B
SCHEMBL6230181 0.67 HTT (0.32) CA5ACA5BKMT2A
Ammonia Solution, Strong SCHEMBL8665455 0.67
Bicarbonate SCHEMBL37341 0.62 CA5A (0.73) CA5ACA5BMEN1LMNABLM
Bicarbonate SCHEMBL11407403 0.62 MEN1 (0.50) CA5ACA5BMEN1LMNABLM
Bicarbonate SCHEMBL4713896 0.62 CA5A (0.73) CA5ACA5BMEN1LMNABLM
Bicarbonate SCHEMBL6804513 0.62
Bicarbonate SCHEMBL11407408 0.62 MEN1 (0.50) CA5ACA5BMEN1LMNABLM
SCHEMBL492657 0.62
Bicarbonate SCHEMBL11287089 0.62 MEN1 (0.50) CA5ACA5BMEN1LMNABLM

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-5714714-A Process for preparing ammonium dinitramide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1998-02-03 US disclosed
US-4076807-A PLANTS PHILAGRO S.A. (FR) 1978-02-28 US disclosed