SCHEMBL29191069

SCHEMBL29191069

O=[N+]([O-])c1nn(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL28690615 0.67 PKM (0.30)
SCHEMBL29094383 0.67 KDM4E (0.43) KDM4ELMNAMAPTHTTBLM
SCHEMBL29091847 0.66 L3MBTL1 (0.34) KDM4EKMT2A
SCHEMBL29091845 0.66
SCHEMBL9629226 0.60 KDM4E (0.36) KDM4ELMNAMAPTKMT2A
SCHEMBL28334179 0.59 PKM (0.32) KDM4E
SCHEMBL31603040 0.59 KDM4E (0.36) KDM4ELMNAMAPTHTTBLM
SCHEMBL35451 0.56 KMT2A (0.34) KDM4EKMT2A
SCHEMBL9629220 0.55 ALDH1A1 (0.35) KDM4E
SCHEMBL11028700 0.55 MAPT (0.36) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886764-A Preparation method and application of 1,2, 3-triazole-based high-energy-density oxidant 北京理工大学 2024-04-16 CN claimed
CN-117886764-A Preparation method and application of 1,2, 3-triazole-based high-energy-density oxidant 北京理工大学 2024-04-16 CN disclosed
CN-117886764-A Preparation method and application of 1,2, 3-triazole-based high-energy-density oxidant 北京理工大学 2024-04-16 CN disclosed