SCHEMBL6853592

SCHEMBL6853592

O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[Ce+3].[NH2-].[NH2-].[NH2-]

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL7868171 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL6654673 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL27563952 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL35227 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL23608133 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL7212600 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1173195 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL7209256 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL5907912 0.88
SCHEMBL2564287 0.88

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
EP-1391240-A1 Method for preparing a catalyst for preferential oxidation to remove carbon monoxide from a hydrogen-rich gas, a process for preferential oxidation to remove carbon monoxide from hydrogen-rich gas and a method for operating a fuel cell system PAUL SCHERRER INSTITUT (CH) 2004-02-25 EP disclosed