SCHEMBL2890927

SCHEMBL2890927

O=[N+]([O-])c1nonc1-c1nonc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TLR9 Q9NR96 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL29088214 0.97 CA12 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL30838856 0.83 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL18043742 0.80 ABCC1 (0.46) CA12CA1CA2CA9ABCC1
SCHEMBL8077700 0.80 CA12 (0.64) CA12CA1CA2CA9KMT2A
SCHEMBL15301854 0.78 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL28377553 0.78 CA12 (0.46) CA12CA1CA2CA9KMT2A
SCHEMBL29187695 0.75 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL2883256 0.75 CA12 (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL28532559 0.75 CA12 (0.41) CA12CA1CA2CA9
SCHEMBL29164396 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514737-A Preparation method and application of 3,3 '-dinitro-4, 4' -bifurazan 西安近代化学研究所 2023-08-01 CN claimed
EP-0816306-B1 Propellants with a high specific impulsion, containing furazane derivatives SOC NAT (FR) 2000-03-15 EP claimed
CN-116514737-A Preparation method and application of 3,3 '-dinitro-4, 4' -bifurazan 西安近代化学研究所 2023-08-01 CN disclosed
CN-116514737-A Preparation method and application of 3,3 '-dinitro-4, 4' -bifurazan 西安近代化学研究所 2023-08-01 CN disclosed
CN-116514737-A Preparation method and application of 3,3 '-dinitro-4, 4' -bifurazan 西安近代化学研究所 2023-08-01 CN disclosed
US-8211252-B2 Furazane derivatives, preparation thereof and energetic compositions containing them EURENCO (FR) 2012-07-03 US disclosed
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM SNPE MATERIAUX ENERGETIQUES (FR) 2010-06-03 US disclosed
US-4099142-A Condensed explosive gas dynamic laser THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1978-07-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100132856-A1 FURAZANE DERIVATIVES, PREPARATION THEREOF AND ENERGETIC COMPOSITIONS CONTAINING THEM NOX5, COX5A, TXN2 CA12 4413/4885CA1 1875/4885CA2 2421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.