SCHEMBL592127

SCHEMBL592127

O=S(=O)([O-])c1ccc2ccc3cccc4ccc1c2c34.[Na+]

nearest known ligand 0.46

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 2/20 0.40
NR4A1 P22736 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DUSP5 Q16690 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 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
SCHEMBL29557352 1.00 NR4A1 (0.46) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL31441383 1.00 NR4A1 (0.46) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27823784 0.92 CTRB1 (0.44) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
Potassium Ion SCHEMBL11528259 0.88 NR4A1 (0.47) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL11528709 0.87 THRB (0.47) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL18274827 0.87 DUSP5 (0.45) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL450356 0.85 NR4A1 (0.39) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL221346 0.85 NR4A1 (0.39) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL27939682 0.85 DUSP5 (0.47) NR4A1ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL30538112 0.85 THRB (0.43) NR4A1ALDH1A1HPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119570478-A Indicator replacement sensor for detecting perfluorooctane sulfonic acid, and preparation method and application thereof 三峡环境科技有限公司 2025-03-07 CN claimed
CN-117758329-A Electroplating method containing graphene 浙江正泰电器股份有限公司 2024-03-26 CN claimed
CN-112661973-B Preparation and structure of calixadine and pyrene sulfonate supramolecular nanoparticles and application of calixadine and pyrene sulfonate supramolecular nanoparticles in induced aggregation luminescence 天津师范大学 2022-12-06 CN claimed
CN-111808078-B Lenalidomide derivative for inhibiting IDO1 activity and preparation method and application thereof 济南爱思医药科技有限公司 2022-10-11 CN claimed
CN-115015192-A Gold nanoparticle-based sensor and detection method of glutathione and oxidation degree thereof 扬州大学 2022-09-06 CN claimed
CN-114901754-A Methods and compositions for producing graphene polyurethane foams 普世物料公司 2022-08-12 CN claimed
CN-111875589-B Indirubin derivative used in combination with polypeptide and preparation method and application thereof 济南爱思医药科技有限公司 2022-07-15 CN claimed
CN-110698326-B Synthesis method of 1-hydroxypyrene 福建福瑞明德药业有限公司 2022-04-26 CN claimed
CN-113512135-A Preparation method of oxime ester photoinitiator 优缔贸易(上海)有限公司 2021-10-19 CN claimed
WO-2021077233-A1 METHODS AND COMPOSITIONS FOR PRODUCING GRAPHENE POLYURETHANE FOAMS UNIVERSAL MATTER INC. (CA) 2021-04-29 WO claimed
CN-107033478-A A kind of preparation method of graphene stable colloid 中南民族大学 2017-08-11 CN claimed
CN-105536563-A Preparation method of high-performance oxidized graphene tubular nanofiltration membrane and application thereof UNIV BEIJING TECHNOLOGY 2016-05-04 CN claimed
EP-2960205-A1 Stable aqueous graphene suspension and its use in producing graphene polymer nanocomposites Solvay SA (BE) 2015-12-30 EP claimed
CN-103275697-B Di-pyrene amphiphilic fluorescent probe and synthesis method and application thereof UNIV SHAANXI NORMAL 2014-09-17 CN claimed
CN-103275697-A Di-pyrene amphiphilic fluorescent probe and synthesis method and application thereof UNIV SHAANXI NORMAL 2013-09-04 CN claimed
CN-101943919-B Method for controlling concentration multiplying power of circulating cooling water and concentration multiplier TIANJIN TIANYI QINGYUAN TECHNOLOGY DEV CO LTD 2011-11-16 CN claimed
CN-201812213-U Concentration ratio instrument for circulating cooling water system TIANJIN TIANYI QINGYUAN SCIENCE AND TECHNOLOGY DEV CO LTD 2011-04-27 CN claimed
CN-100544823-C A kind of preparation method of nanometer particle carbon nanotube compound catalyst CHANGCHUN APPLIED CHEMISTRY (CN) 2009-09-30 CN claimed
CN-101224434-A Preparing method of nanometer particle carbon nanotube compound catalyst CHANGCHUN APPLIED CHEMISTRY (CN) 2008-07-23 CN claimed
CN-101050358-A Method for preparing dyestuff controllable doped Nano particles of silicon dioxide UNIV JILIN (CN) 2007-10-10 CN claimed