SCHEMBL8423307

SCHEMBL8423307

O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3]

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
SCHEMBL8423312 1.00
SCHEMBL133022 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL2905909 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL7209256 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL8002438 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL9469622 0.88
Water SCHEMBL72442 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3303286 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL74669 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL3303297 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
US-5911944-A OPTOELECTRONIC MODULATOR, METAL OXIDE, SOL-GEL TECHNIQUE MINOLTA CO., LTD. (JP) 1999-06-15 US disclosed