SCHEMBL6131360

SCHEMBL6131360

O=[N+]([O-])c1cn([N+](=O)[O-])nn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 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
Ammonia Solution, Strong SCHEMBL11283487 0.98 NOS1 (0.35) NOS1NOS2ALDH1A1KEAP1NFE2L2
Potassium Ion SCHEMBL6131354 0.98 NOS1 (0.35) NOS1NOS2ALDH1A1KEAP1NFE2L2
SCHEMBL10969210 0.74
SCHEMBL14926139 0.74
SCHEMBL7850048 0.74
SCHEMBL29701951 0.69 ALDH1A1 (0.47) ALDH1A1
SCHEMBL9827386 0.69 TGM2 (0.39) ALDH1A1
SCHEMBL23038159 0.66 TGM2 (0.39)
SCHEMBL14839429 0.66 ALDH1A1 (0.37) ALDH1A1KEAP1NFE2L2
SCHEMBL30116052 0.66 ALDH1A1 (0.37) ALDH1A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773367-B Boron aza condensed ring spontaneous combustion ionic liquid and preparation method thereof 哈尔滨工业大学(深圳) 2023-09-12 CN disclosed
CN-114773367-A Boron-nitrogen fused ring spontaneous combustion ionic liquid and preparation method thereof 哈尔滨工业大学(深圳) 2022-07-22 CN disclosed
US-9309266-B2 High-performing stable green replacements for ammonium perchlorate UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-04-12 US disclosed
US-20140350266-A1 High-Performing Stable Green Replacements for Ammonium Perchlorate UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-11-27 US disclosed
US-6881847-B2 Process for the synthesis and recovery of nitramines ALLIANT TECHSYSTEMS INC. (US) 2005-04-19 US disclosed
US-20040024223-A1 Process for the synthesis and recovery of nitramines NORTHROP GRUMMAN SYSTEMS CORPORATION 2004-02-05 US disclosed
US-6603018-B2 Rockets; propullants ALLIANT TECHSYSTEMS INC. 2003-08-05 US disclosed
US-20020156291-A1 Process for the synthesis and recovery of nitramines ORBITAL ATK, INC. (F/K/A ALLIANT TECHSYSTEMS INC.) 2002-10-24 US disclosed
WO-2002060881-A1 PROCESS FOR THE SYNTHESIS AND RECOVERY OF NITRAMINES ALLIANT TECHSYSTEMS INC. (US) 2002-08-08 WO 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 (2 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-20020156291-A1 Process for the synthesis and recovery of nitramines NNMT, PNMT, NISCH NOS1 14/4885NOS2 12/4885ALDH1A1 4427/4885
US-20040024223-A1 Process for the synthesis and recovery of nitramines NNMT, NCL, PNMT NOS1 14/4885NOS2 13/4885ALDH1A1 4392/4885

“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.