SCHEMBL6917351

SCHEMBL6917351

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-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.75

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 0.75
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
SCHEMBL21307 1.00
SCHEMBL30620980 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL8378095 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL9314153 1.00 MEN1 (0.75) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL1332061 1.00
Water SCHEMBL15106645 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
SCHEMBL10533307 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL3061664 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Water SCHEMBL14629915 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BALDH1A1
Potassium Ion SCHEMBL8881511 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108467214-A A kind of self-repairing of concrete cracks agent and preparation method thereof 芜湖扬展新材料科技服务有限公司 2018-08-31 CN claimed
CN-105541204-B A kind of cement products of anti-sand holes 卓达新材料科技集团威海股份有限公司 2017-11-28 CN claimed
CN-105481312-B A kind of cement products of anti-sand holes 卓达新材料科技集团有限公司 2017-11-28 CN claimed
CN-107021811-A A kind of implantation methods of selenium-rich rye grass 广西乐业华东投资有限公司 2017-08-08 CN claimed
CN-106631628-A Special organic fertilizer for peanut planting 蚌埠市兵凤赟种植农民专业合作社 2017-05-10 CN claimed
CN-106478188-A A kind of preparation method of the compound fertilizer rich in n-p-k element 王兵 2017-03-08 CN claimed
CN-106431562-A Preparation method for special fertilizer used for Beili pumpkin 宿州市埇桥区九里梦种植专业合作社 2017-02-22 CN claimed
CN-106220406-A Heavy salinized ground Study on Fertilizing modifying agent and modification method thereof 山东胜伟园林科技有限公司 2016-12-14 CN claimed
CN-106220404-A Inland alkaline land improving fertilizer and modification method thereof 山东胜伟园林科技有限公司 2016-12-14 CN claimed
CN-106007592-A Super early strength type plastic expansion repairing mortar and production method thereof 广西横县恒丰建材有限责任公司 2016-10-12 CN claimed
CN-106007573-A Superfine high-strength plastic expansion grouting material and production method thereof 广西横县恒丰建材有限责任公司 2016-10-12 CN claimed
CN-106007574-A Plastic double-expansion pouring mortar and production method thereof 广西横县恒丰建材有限责任公司 2016-10-12 CN claimed
CN-105936618-A Agricultural product composite organic biological fertilizer 浙江科聚特农业科技发展有限公司 2016-09-14 CN claimed
CN-105859218-A Premixed mechanized spraying mortar and production method thereof 广西横县恒丰建材有限责任公司 2016-08-17 CN claimed
CN-105837120-A Aerated concrete block masonry mortar and production method thereof 广西横县恒丰建材有限责任公司 2016-08-10 CN claimed
CN-102059468-A Nano-scale splash-preventing propellent solution LIYAN AN 2011-05-18 CN claimed
CN-109704855-A A kind of multifunctional fertilizers of crops flower and fruit protecting 武汉绿舟生态肥料有限公司 2019-05-03 CN disclosed
CN-109174937-A A kind of heavy-metal contaminated soil restorative procedure 上海邻肯园林科技有限公司 2019-01-11 CN disclosed
US-20030032036-A1 Novel bacteriophage, a process for the islolation thereof, and a universal growth medium useful in the process thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2003-02-13 US disclosed
US-6482632-B1 Bacteriophage, a process for the isolation thereof, and a universal growth medium useful in the process thereof COUNCIL OF SCIENTIC AND INDUSTRIAL RESEARCH (IN) 2002-11-19 US disclosed