SCHEMBL339169

SCHEMBL339169

Cc1ccc2ccccc2c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.48

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
CYP2A6 P11509 4/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
NR1I2 O75469 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HKDC1 Q2TB90 1/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KEAP1 Q14145 1/20 0.37
HPRT1 P00492 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL29446139 1.00 CYP2A6 (0.48) CYP2A6TSHRCYP1A2ALDH1A1TDP1
Methyl Alcohol SCHEMBL8332469 0.96 TSHR (0.46) CYP2A6TSHRCYP1A2ALDH1A1TDP1
Formaldehyde SCHEMBL6948876 0.96 CYP2A6 (0.46) CYP2A6TSHRCYP1A2ALDH1A1TDP1
Potassium Ion SCHEMBL3209452 0.96 CYP2A6 (0.48) CYP2A6TSHRCYP1A2ALDH1A1TDP1
Sulfuric Acid SCHEMBL28146197 0.84 TSHR (0.44) CYP2A6TSHRCYP1A2ALDH1A1TDP1
SCHEMBL3844980 0.84 CYP2A6 (0.56) CYP2A6TSHRCYP1A2ALDH1A1TDP1
SCHEMBL5610250 0.81 CYP2A6 (0.52) CYP2A6TSHRCYP1A2ALDH1A1TDP1
SCHEMBL31603822 0.81 CYP2A6 (0.52) CYP2A6TSHRCYP1A2ALDH1A1TDP1
SCHEMBL498824 0.81 CYP2A6 (0.52) CYP2A6TSHRCYP1A2ALDH1A1TDP1
Stearic Acid SCHEMBL8404938 0.80 TDP1 (0.42) TSHRCYP1A2ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722420-A1 COMPOUND DISPERSANT, COMPOUND DISPERSANT SOLUTION, AND COMPOSITE PLATING SOLUTION Zhejiang Chint Electrics Co., Ltd. (CN) 2026-04-08 EP claimed
EP-4623691-A1 INSECTICIDAL PREPARATION CONTAINING META-DIAMIDE COMPOUND AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2025-10-01 EP claimed
CN-119973061-A Continuous casting mold flux with high self-adaptability and preparation method thereof 北京科技大学 2025-05-13 CN claimed
CN-119980479-A Texturing agent composition and texturing liquid 嘉庚创新实验室 2025-05-13 CN claimed
CN-119932938-A Dyeing method for target fabric, computing device, computer readable storage medium and functional ink 杭州宏华数码科技股份有限公司 2025-05-06 CN claimed
CN-119777022-A Super-matte special-shaped colored polyester fiber and preparation method thereof 旷达纤维科技有限公司 2025-04-08 CN claimed
CN-119638602-A Method for improving sulfonation reaction efficiency and production method of dispersing agent MF 安阳市双环助剂有限责任公司 2025-03-18 CN claimed
CN-119614257-A Method for preparing slurry fuel by using carbon fiber-based wind power blade and slurry fuel 龙源电力集团股份有限公司 2025-03-14 CN claimed
CN-119614256-A Method for preparing slurry fuel by using glass fiber-based wind power blade and slurry fuel 龙源电力集团股份有限公司 2025-03-14 CN claimed
CN-119344323-A Application of isothiazolinone compound in preventing or killing nematode 北京靳氏化学科技有限公司 2025-01-24 CN claimed
EP-0084766-B1 CONTINUOUS PROCESS FOR THE PRODUCTION OF SIRUPEOUS EXPLOSIVE COMPOSITIONS THAT CAN BE CARTRIDGED ON A CUTTING MACHINE, AND PRODUCTS SO OBTAINED PRB NOBEL EXPLOSIFS (BE) 1985-12-04 EP claimed
US-4477365-A ALKALI METAL HYDROXIDE, FATTY ACID SUBSTITUTED BETAINE, ALPHA-OLEFIN SULFONATE, AND HYDROTROPIC AGENT MILES LABORATORIES, INC. (US) 1984-10-16 US claimed
EP-0116171-A2 A caustic based aqueous cleaning composition MILES INC. (US) 1984-08-22 EP claimed
US-4444630-A QUATERNARY EMMONIUM PROPOXYLATE SURFACTANT RICHARDSON CHEMICAL COMPANY (US) 1984-04-24 US claimed
US-4426238-A Blasting composition containing particulate oxidizer salts IRECO CHEMICALS (US) 1984-01-17 US claimed
US-4360612-A Agglomerate-free, bubble-free, high barrier vinylidene chloride polymer films and process of preparation THE DOW CHEMICAL COMPANY (US) 1982-11-23 US claimed
US-4221618-A AMMONIUM AND SODIUM NITRATES, FUEL SNESITIZER, CROSSLINKED GUAR GUM COOK MELVIN A 1980-09-09 US claimed
US-4152288-A AQUEOUS SOLUTION OF A QUATERNARY AMMONIUM COMPOUND AND A SURFACTANT SUITABLE FOR SPRAYING LESTER LABORATORIES, INC. (US) 1979-05-01 US claimed
US-4089755-A CATIONIC QUATERNARY AMMONIUM SURFACTANT THE RICHARDSON COMPANY (US) 1978-05-16 US claimed
US-4055449-A HYDROCARBON FUEL IRECO CHEMICALS (US) 1977-10-25 US claimed