SCHEMBL8015679

SCHEMBL8015679

O=c1n([N+](=O)[O-])c(=O)n([N+](=O)[O-])c(=O)n1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NLRP1 Q9C000 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL136652 0.55
SCHEMBL31709992 0.55 MEN1 (0.86) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL14916717 0.55 MEN1 (0.86) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL9093617 0.55 MEN1 (0.86) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL2905909 0.51 MEN1 (0.75) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL3907819 0.51 MEN1 (0.75) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL23398193 0.51 MEN1 (0.75) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL344814 0.51 MEN1 (0.75) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL11290873 0.51
SCHEMBL144783 0.51 MEN1 (0.75) MEN1KMT2AALDH1A1HPGDTDP1

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-6139054-A AN AIR BAG COMPRISING AN OXIDIZER, AND A FUEL COMPONENT SELECTED FROM AN OXO-, DIOXO-, TRIOXO- OR TETRAOXO-COMPOUND FOR COMPLETE COMBUSTION TRW INC. (US) 2000-10-31 US claimed
US-6139054-A AN AIR BAG COMPRISING AN OXIDIZER, AND A FUEL COMPONENT SELECTED FROM AN OXO-, DIOXO-, TRIOXO- OR TETRAOXO-COMPOUND FOR COMPLETE COMBUSTION TRW INC. (US) 2000-10-31 US disclosed
US-6139054-A AN AIR BAG COMPRISING AN OXIDIZER, AND A FUEL COMPONENT SELECTED FROM AN OXO-, DIOXO-, TRIOXO- OR TETRAOXO-COMPOUND FOR COMPLETE COMBUSTION TRW INC. (US) 2000-10-31 US disclosed