SCHEMBL465089

SCHEMBL465089

O=C1C=C(S(=O)(=O)[O-])C(=O)c2ccccc21.[Na+]

nearest known ligand 0.72

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
ADORA3 known ✓ P0DMS8 1/20 0.48
THRB known ✓ P10828 1/20 0.41
PPARG known ✓ P37231 1/20 0.41
PTPN1 P18031 2/20 0.72
CDC25B P30305 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
IDO1 P14902 2/20 0.48
CDC25A P30304 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PLIN1 O60240 2/20 0.48
MAOA P21397 2/20 0.48
BLM P54132 2/20 0.48
PLIN5 Q00G26 2/20 0.48
ABHD5 Q8WTS1 2/20 0.48
NR1I2 O75469 1/20 0.48

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
SCHEMBL30708248 1.00 PTPN1 (0.72) PTPN1CDC25BMEN1KMT2ALMNA
Potassium Ion SCHEMBL1520490 0.96 PTPN1 (0.67) PTPN1CDC25BMEN1KMT2ALMNA
Potassium Ion SCHEMBL29359597 0.96 PTPN1 (0.67) PTPN1CDC25BMEN1KMT2ALMNA
SCHEMBL9237165 0.96 PTPN1 (0.67) PTPN1CDC25BMEN1KMT2ALMNA
SCHEMBL31401925 0.96 PTPN1 (0.67) PTPN1CDC25BMEN1KMT2ALMNA
Lithium Ion SCHEMBL7788948 0.96 PTPN1 (0.67) PTPN1CDC25BMEN1KMT2ALMNA
SCHEMBL29355012 0.84 PTPN1 (1.00) PTPN1CDC25BMEN1KMT2AMAPT
SCHEMBL423603 0.84 PTPN1 (1.00) PTPN1CDC25BMEN1KMT2AMAPT
Potassium Ion SCHEMBL30585392 0.80 PTPN1 (0.92) PTPN1CDC25BMEN1KMT2AMAPT
SCHEMBL9233999 0.80 PTPN1 (0.92) PTPN1CDC25BMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467966-A One vegetable oil desulphurization plant desulfurizing agent and preparation method thereof ANHUI HAIDE CHEMICAL TECH CO LTD 2019-11-19 CN claimed
CN-109852434-A A kind of method of coke-oven-gas desulfurization and decyanation concentration relieving haperacidity 宁波科新化工工程技术有限公司 2019-06-07 CN claimed
CN-102277205-B Method for extracting salt from coke oven gas by desulfuration and decyanation NINGBO KEXIN CHEMICAL ENGINEERING TECHNOLOGY CO LTD 2014-05-07 CN claimed
CN-102277590-B Preparation method of polypyrrole functional mediator doped with water-soluble anthraquinone or naphthoquinone compound and application thereof UNIV HEBEI SCIENCE & TECH 2013-07-31 CN claimed
CN-101874968-B Iron complex desulfurizer suitable for super-gravity desulfurization UNIV NORTH CHINA 2013-01-02 CN claimed
CN-102277590-A Preparation method of polypyrrole functional mediator doped with water-soluble anthraquinone or naphthoquinone compound and application thereof 2011-12-14 CN claimed
CN-101519193-B Acid preparing method by coal gas wet oxidation and desulfurization NINGBO KEXIN COAL CHEMICAL INDUSTRY EQUIPMENT CO LTD 2011-01-26 CN claimed
CN-101874968-A Iron complex desulfurizer suitable for super-gravity desulfurization UNIV NORTH CHINA 2010-11-03 CN claimed
CN-101519193-A Acid preparing method by coal gas wet oxidation and desulfurization NINGBO KEXIN COAL CHEMICAL IND 2009-09-02 CN claimed
CN-1115341-A Alkaline hydrogen peroxide generator of adding non-ionic catalyst to cathode water solution YUAN JIANHUA (CN) 1996-01-24 CN claimed
US-5324815-A Polyaniline NITTO DENKO CORPORATION (JP) 1994-06-28 US claimed
US-4874589-A Method for desulfurization of sulfur or hydrogen sulfide-containing gases UTB UMWELTTECHNIK BUCHS AG (CH) 1989-10-17 US claimed
US-4176125-A Process for producing 1,4-dihydroanthraquinone KAWASAKI KASEI CHEMICALS LTD. (JP) 1979-11-27 US claimed
JP-56166292-A None JP disclosed
JP-3258262-A None JP disclosed
CN-217616732-U Waste sulfur disposal equipment 宝山钢铁股份有限公司 2022-10-21 CN disclosed
US-4176125-A Process for producing 1,4-dihydroanthraquinone KAWASAKI KASEI CHEMICALS LTD. (JP) 1979-11-27 US disclosed
US-4083945-A ALDEHYDE IN SCRUBBING SOLUTION UNION OIL COMPANY OF CALIFORNIA (US) 1978-04-11 US disclosed
US-4002727-A CATALYTIC OXIDATION; AMMONIUM NAPHTHOQUINONE SULFONATE AS A CATALYST NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD (JA) 1977-01-11 US disclosed
US-3937795-A OXIDATION CATALYSTS, CHELATE COMPOUNDS, QUINONES AND HYDROQUINONES, ABSORPTION 3937795 3937795 NEW WORLD BUSINESS CORPORATION, A CA CORP. 1976-02-10 US disclosed