SCHEMBL28067025

SCHEMBL28067025

O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[B+3].[Mg+2]

nearest known ligand 0.67

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

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
SCHEMBL29188255 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL4822864 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL48481 0.94
SCHEMBL5675024 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL109132 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL23273248 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6038352 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL8651616 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL25427440 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Lithium Ion SCHEMBL4332635 0.88 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR

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
CN-105502443-A Method of producing magnesium nitrate hyperhydrate with boron mud waste material CHANGDE YUNGANG BIOTECHNOLOGY CO LTD 2016-04-20 CN disclosed