SCHEMBL11204366

SCHEMBL11204366

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

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
SCHEMBL3091709 1.00
SCHEMBL1238559 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL7672687 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Ammonia Solution, Strong SCHEMBL2535368 0.94
SCHEMBL11522038 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL8581600 0.94
Hydrochloric Acid SCHEMBL9776855 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Ammonia Solution, Strong SCHEMBL2535374 0.94
Hydrochloric Acid SCHEMBL4304763 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL9064871 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-4404397-A High conversion of C3 and C4 olefins to corresponding unsaturated aldehydes and acids with stable molybdenum catalysts AIR PRODUCTS AND CHEMICALS, INC. (US) 1983-09-13 US disclosed
US-4272408-A Stable molybdenum catalysts for high conversion of C3 and C4 olefins to corresponding unsaturated aldehydes and acids AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-06-09 US disclosed