SCHEMBL78761

SCHEMBL78761

O=S(=O)([O-])c1cc(Cl)ccc1Cl.[Na+]

nearest known ligand 0.52

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 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ACHE P22303 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.44
AKR1B1 P15121 1/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL29653826 1.00 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL11332440 0.98 MCL1 (0.53) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL31266402 0.98 MCL1 (0.53) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL31134735 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL31134782 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
Potassium Ion SCHEMBL3009008 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
Lithium Ion SCHEMBL3695136 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL5078513 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
Potassium Ion SCHEMBL29653831 0.96 MCL1 (0.52) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL5588671 0.83 HSD11B1 (0.44) MCL1ALDH1A1TSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214378-B1 FLAME RETARDANT POLYCARBONATE COMPOSITION BAYER AG (US) 2005-04-06 EP claimed
US-6602938-B1 Alkali metal salt of an aromatic sulonic acid SUMITOMO DOW LTD. (JP) 2003-08-05 US claimed
US-4776981-A PHTHALIMIDE COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
US-4113695-A Non-opaque flame-retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1978-09-12 US claimed
CN-110267798-B Method of manufacturing an object by additive manufacturing using a polycarbonate build material having improved flow capability 科思创德国股份有限公司 2022-05-27 CN disclosed
CN-107207864-B Flame-resistant moulding compositions containing glass fibres, containing silicone-containing polycarbonate block cocondensates 科思创德国股份有限公司 2021-03-02 CN disclosed
CN-107207863-B Flame-resistant moulding compositions containing silicone-containing polycarbonate block cocondensates 科思创德国股份有限公司 2021-02-19 CN disclosed
WO-2020017113-A1 POLYMER ELECTROLYTE, METHOD FOR PRODUCING SAME, POLYMER ELECTROLYTE MEMBRANE USING SAME, CATALYST LAYER, MEMBRANE/ELECTRODE ASSEMBLY AND FUEL CELL 国立大学法人山梨大学 2020-01-23 WO disclosed
EP-2673318-B1 FLAME RETARDANT, THERMOPLASTIC POLYCARBONATE MOLDING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2017-07-05 EP disclosed
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
US-20140058025-A1 FLAME RETARDANT, THERMOPLASTIC POLYCARBONATE MOLDING COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US disclosed
US-4657955-A Flameproofing agents, their preparation and their use for flameproofing polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1987-04-14 US disclosed
US-4615832-A Flameproofing agents, their preparation and their use for flameproofing polycarbonates BAYER AKTIENGESELLSCHAFT (DE) 1986-10-07 US disclosed
EP-0170851-A1 Aryl ester of perfluoroalkane-sulphonic acid as an antidripping agent in flame-resistant compositions based on thermoplastic aromatic polycarbonates BAYER AG (DE) 1986-02-12 EP disclosed
US-4506046-A A HALOGEN-FREE AND SULFUR-FREE DIHYDRIC PHENOL, A THIODIPHENOL, AND A SULFONIC ACID SALT GENERAL ELECTRIC COMPANY (US) 1985-03-19 US disclosed
EP-0127818-A1 Improved flame retardant polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1984-12-12 EP disclosed
US-4469833-A MINOR AMOUNTS FO THIODIPHENOL AND ORGANIC SULFONATE GENERAL ELECTRIC COMPANY (US) 1984-09-04 US disclosed
US-4208489-A AN ALKALI METAL SALT AND A TETRAHALOGENOPHTHALIMIDE BAYER AKTIENGESELLSCHAFT (DE) 1980-06-17 US disclosed
US-4113695-A Non-opaque flame-retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1978-09-12 US disclosed