SCHEMBL9488141

SCHEMBL9488141

O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cs+].[Cs+]

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL71957 1.00
Fluoride SCHEMBL30038768 0.94
SCHEMBL31514285 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Potassium Ion SCHEMBL4583803 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL5391679 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL9857544 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL9488786 0.94
Ammonia Solution, Strong SCHEMBL5094644 0.94
SCHEMBL5907912 0.94
SCHEMBL11103405 0.94

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-5241114-A Controlling temperature AMOCO CORPORATION (US) 1993-08-31 US disclosed