SCHEMBL9614512

SCHEMBL9614512

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-].[Mo+4].[Mo+4]

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
SCHEMBL338009 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL27899360 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL28590441 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL28128635 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL28440939 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL28361915 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL28514282 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL9436474 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL28551493 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL27914634 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084257-A Oxidation of sulfur dioxide to sulfur trioxide with molybdenum catalysts and reaction with calcium to form calcium sulfate MONSANTO COMPANY (US) 1992-01-28 US claimed
EP-0430920-A1 Sulfur dioxide removal from stack gas MONSANTO COMPANY (US) 1991-06-05 EP claimed