SCHEMBL339569

SCHEMBL339569

O=S(=O)([O-])c1ccc2ccccc2c1O.[Na+]

nearest known ligand 0.49

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 1/20 0.49
CTRB1 P17538 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.48
LDHA P00338 1/20 0.46
ERN1 O75460 1/20 0.46
CHEK1 O14757 1/20 0.44
CDK8 P49336 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
PKLR P30613 2/20 0.41
DUSP5 Q16690 1/20 0.41
NR4A1 P22736 1/20 0.41
PTPN1 P18031 1/20 0.41
PGAM1 P18669 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2880574 0.98 PTPN22 (0.50) CTRB1THRBPTPN22LDHAERN1
SCHEMBL8445295 0.96 CTRB1 (0.49) CTRB1THRBPTPN22LDHAERN1
SCHEMBL3169181 0.96 CTRB1 (0.49) CTRB1THRBPTPN22LDHAERN1
Potassium Ion SCHEMBL31385186 0.96 CTRB1 (0.49) CTRB1THRBPTPN22LDHAERN1
Potassium Ion SCHEMBL1819744 0.96 CTRB1 (0.49) CTRB1THRBPTPN22LDHAERN1
SCHEMBL88069 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
Hydrochloric Acid SCHEMBL27766336 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
SCHEMBL30383446 0.81 CTRB1 (0.64) CTRB1PTPN22LDHAERN1CHEK1
SCHEMBL29576653 0.80 DUSP5 (0.46) THRBPKLRDUSP5PTPN1PGAM1
SCHEMBL3233249 0.79 CA1 (0.41) CTRB1THRBERN1DUSP5NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119162856-A Environment-friendly low-phenol color fixing agent and preparation method thereof 广东宏昊化工有限公司 2024-12-20 CN claimed
CN-115976519-B Chromium etching solution for stripping development and application thereof 武汉梵佳鑫科技有限公司 2024-08-30 CN claimed
CN-118390316-A Nylon dyeing and fixing one-bath color fastness improver, preparation method and nylon fabric dyeing method 东莞市中纺化工有限公司 2024-07-26 CN claimed
CN-118390317-A Printing and dyeing processing method for improving wet treatment color fastness of nylon spandex elastic knitted fabric 东莞市中纺化工有限公司 2024-07-26 CN claimed
CN-115960682-B Low-VOC (volatile organic compound) photosensitive resin developing cleaning agent for 3D printing and preparation method thereof 深圳市科玺化工有限公司 2024-05-24 CN claimed
CN-115976519-A Chromium etching solution for deplating development and application thereof 武汉梵佳鑫科技有限公司 2023-04-18 CN claimed
CN-115960682-A Low-VOC photosensitive resin developing cleaning agent for 3D printing and preparation method thereof 深圳市科玺化工有限公司 2023-04-14 CN claimed
WO-2023003410-A1 COMPOSITION FOR AUTOIMMUNE BUILDER OF PLANTS AND USAGE METHOD USING SAME 농업회사법인 주식회사 아그로비즈 2023-01-26 WO claimed
CN-113621375-B Quartz wafer etching additive and preparation method thereof 深圳市科玺化工有限公司 2022-07-01 CN claimed
CN-114214677-A Acidic copper plating deep hole agent, preparation method thereof and electroplating method 佛山亚特表面技术材料有限公司 2022-03-22 CN claimed
CN-113621375-A Quartz wafer etching additive and preparation method thereof 深圳市科玺化工有限公司 2021-11-09 CN claimed
CN-109323996-B Fungus detection kit 宁波市奉化区人民医院 2021-09-07 CN claimed
CN-109323996-A A kind of fungal detection kit 宁波市奉化区人民医院 2019-02-12 CN claimed
CN-103757669-B Electroplate tin liquor Guangdong Guanghua Science and Technology Co., Ltd. (CN) 2016-05-25 CN claimed
CN-102305787-A Preparation of fungal (1-3)-beta-D-Glucan colorimetric assay kit and using method for colorimetric assay kit TIANJIN YIRUI BIO ENGINEERING CO LTD 2012-01-04 CN claimed
CN-102305788-A Preparation of gram-negative bacterial lipopolysaccharide (endotoxin) colorimetric assay kit and using method for colorimetric assay kit TIANJIN YIRUI BIO ENGINEERING CO LTD 2012-01-04 CN claimed
US-6582657-B2 Useful for detection and quantification of a dosage of ionizing radiation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-24 US claimed
WO-2002046728-A1 DOSIMETER AND METHOD FOR USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-13 WO claimed
US-20020068016-A1 Dosimeter and method for using the same LOS ALAMOS NATIONAL SECURITY, LLC 2002-06-06 US claimed
US-4042335-A Integral element for analysis of liquids EASTMAN KODAK COMPANY (US) 1977-08-16 US claimed