SCHEMBL8623178

SCHEMBL8623178

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL2889879 1.00 CA12 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL7676364 0.89 CA12 (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL13288334 0.88 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL30892508 0.82 ABCC1 (0.40) CA12CA1CA2CA9ABCC1
SCHEMBL29657965 0.79 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL2890927 0.73 CA12 (0.55) CA12CA1CA2CA9KMT2A
SCHEMBL29088214 0.71 CA12 (0.53) CA12CA1CA2CA9KMT2A
SCHEMBL29005813 0.70 KMT2A (0.42) CA12CA1CA2CA9KMT2A
SCHEMBL29164396 0.70
SCHEMBL19004240 0.65 CA12 (0.37) CA12CA1CA2CA9

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
US-5747729-A SOLID PROPELLANT COMPRISING BINDER, ENERGETIC FILLER COMPRISING DINITRATED BIFURAZANE DERIVATIVE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1998-05-05 US claimed
US-5747729-A SOLID PROPELLANT COMPRISING BINDER, ENERGETIC FILLER COMPRISING DINITRATED BIFURAZANE DERIVATIVE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1998-05-05 US disclosed
US-5747729-A SOLID PROPELLANT COMPRISING BINDER, ENERGETIC FILLER COMPRISING DINITRATED BIFURAZANE DERIVATIVE SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1998-05-05 US disclosed