SCHEMBL9723692

SCHEMBL9723692

CC(NC(N)=O)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL23828 0.68
SCHEMBL4296756 0.67
SCHEMBL7212316 0.66
SCHEMBL2845709 0.66
SCHEMBL22493860 0.66
Hydrochloric Acid SCHEMBL1887249 0.66
SCHEMBL11238784 0.66
SCHEMBL19211622 0.66
Hydrochloric Acid SCHEMBL10383166 0.65 ALDH1A1 (0.39) ALDH1A1
SCHEMBL2597673 0.64

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
US-5101729-A Interior of tube coated with metal-free explosive particles and gas generating non-explosives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-07 US disclosed