SCHEMBL28052699

SCHEMBL28052699

O=[N+]([O-])C(CCOCCC(c1ccccc1)([N+](=O)[O-])[N+](=O)[O-])(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KIF11 P52732 1/20 0.32
GSR P00390 1/20 0.32
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
CYP19A1 P11511 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
SCHEMBL28052697 0.79 GSR (0.36) LMNAALDH1A1KIF11GSRCYP19A1
SCHEMBL19326612 0.79 LMNA (0.35) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL15808773 0.76 KIF11 (0.53) KIF11
SCHEMBL8977864 0.75 ALDH1A1 (0.38) LMNAALDH1A1NPC1KIF11CYP19A1
SCHEMBL8977877 0.75 ALDH1A1 (0.38) LMNAALDH1A1MEN1KMT2AKIF11
SCHEMBL10980604 0.74 HSP90AA1 (0.45) ALDH1A1KIF11
SCHEMBL3202580 0.73 CYP1A2 (0.45) LMNAALDH1A1RECQLMEN1KMT2A
SCHEMBL16293516 0.73 HSP90AA1 (0.31)
SCHEMBL27936749 0.67 ALDH1A1 (0.42) LMNAALDH1A1NPC1RAB9ARECQL
SCHEMBL5594545 0.67 MAPK1 (0.41) LMNAALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358507-A Gas generating composition with reduced solid discharge of inflator HANWHA CORP 2016-02-24 CN disclosed