SCHEMBL29188255

SCHEMBL29188255

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-].[B+3].[Ca+2].[Mg+2]

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 0.60
KMT2A Q03164 1/20 0.60
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL28207453 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL1487956 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL28067025 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL28319345 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL23748011 0.89 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL9642540 0.89 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Hydrochloric Acid SCHEMBL28143603 0.89 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Zinc Ion SCHEMBL28391083 0.89 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Potassium Ion SCHEMBL28539989 0.89 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL109132 0.88 MEN1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865725-A Method for preparing water-soluble calcium magnesium nitrate boron fertilizer by using acid-soluble titanium slag pickle liquor 四川顺应动力电池材料有限公司 2024-04-12 CN claimed
CN-117865725-A Method for preparing water-soluble calcium magnesium nitrate boron fertilizer by using acid-soluble titanium slag pickle liquor 四川顺应动力电池材料有限公司 2024-04-12 CN disclosed
CN-117865725-A Method for preparing water-soluble calcium magnesium nitrate boron fertilizer by using acid-soluble titanium slag pickle liquor 四川顺应动力电池材料有限公司 2024-04-12 CN disclosed
CN-117865725-A Method for preparing water-soluble calcium magnesium nitrate boron fertilizer by using acid-soluble titanium slag pickle liquor 四川顺应动力电池材料有限公司 2024-04-12 CN disclosed