SCHEMBL29624560

SCHEMBL29624560

O=S(=O)([O-])c1cccc2cc(N=Nc3c(O)ccc4ccccc34)ccc12.[Na+]

nearest known ligand 0.61

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 5/20 0.61
▸ MAPT P10636 5/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ GLO1 Q04760 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ MPL P40238 4/20 0.56
▸ CTRC Q99895 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PTPRA P18433 1/20 0.56
▸ PTPRB P23467 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ RAPGEF4 Q8WZA2 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL29421893 0.86 GLO1 (0.64) THRBMAPTKMT2AMEN1TDP1
SCHEMBL29423647 0.83 THRB (0.64) THRBMAPTKMT2AMEN1TDP1
SCHEMBL136632 0.83 THRB (0.64) THRBMAPTKMT2AMEN1TDP1
SCHEMBL10621003 0.82 CYP1A2 (0.62) THRBMAPTKMT2AMEN1TDP1
SCHEMBL29716528 0.82 CYP1A2 (0.62) THRBMAPTKMT2AMEN1TDP1
SCHEMBL10723393 0.81 GLO1 (0.79) THRBMAPTKMT2AMEN1TDP1
SCHEMBL29394555 0.81 GLO1 (0.68) THRBMAPTKMT2AMEN1TDP1
SCHEMBL339399 0.81 MAPT (0.78) THRBMAPTKMT2AMEN1TDP1
SCHEMBL144504 0.81 MAPT (0.78) THRBMAPTKMT2AMEN1TDP1
SCHEMBL29353711 0.81 MAPT (0.78) THRBMAPTKMT2AMEN1TDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN claimed
CN-114894918-B Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2023-07-04 — — CN claimed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 — — CN claimed
CN-115166084-A Method for detecting harmful and overproof substance components of food 颜红印 2022-10-11 — — CN claimed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO claimed
CN-114894918-A Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2022-08-12 — — CN claimed
CN-114487170-A Method for detecting illegally added compounds in food 张缤 2022-05-13 — — CN claimed
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN disclosed
CN-118369217-A Writing tool 三菱铅笔株式会社 2024-07-19 — — CN disclosed
EP-3597670-B1 WATER-SOLUBLE COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT THEREOF, AND CURED PRODUCT THEREOF, AND ACYL PHOSPHINATE ADEKA CORP (JP) 2024-07-10 — — EP disclosed
US-20240117081-A1 POLYMERIZABLE COMPOSITION, VEHICLE, CURED MATERIAL, AND METHOD OF MANUFACTURING CURED MATERIAL ADEKA CORPORATION (JP) 2024-04-11 — — US disclosed
CN-114616254-B Acylphosphine composition, polymerization initiator, polymerizable composition, cured product, and method for producing same 株式会社ADEKA 2024-03-15 — — CN disclosed
CN-116945804-A Visual synergy method for artwork 金华市创丰源科技有限公司 2023-10-27 — — CN disclosed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 — — CN disclosed
CN-115166084-A Method for detecting harmful and overproof substance components of food 颜红印 2022-10-11 — — CN disclosed
EP-4059968-A1 POLYMERIZABLE COMPOSITION, VEHICLE, AND CURED OBJECT AND PRODUCTION METHOD THEREFOR ADEKA CORPORATION (JP) 2022-09-21 — — EP disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
CN-111107906-B Powdery hair dye composition 花王株式会社 2022-08-19 — — CN disclosed
CN-114894918-A Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2022-08-12 — — CN disclosed
CN-114487170-A Method for detecting illegally added compounds in food 张缤 2022-05-13 — — CN disclosed
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