SCHEMBL4365595

SCHEMBL4365595

O=C(c1ccc(Cl)c(S(=O)(=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Na+].[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 11)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 3/20 0.43
CA2 known ✓ P00918 3/20 0.43
MMP2 P08253 3/20 0.49
VCAM1 P19320 2/20 0.47
SRD5A2 P31213 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 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
Potassium Ion SCHEMBL4535868 0.96 MMP2 (0.49) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL5082265 0.91 MMP2 (0.49) MMP2VCAM1SRD5A2CA1CA2
SCHEMBL5082308 0.90 MMP2 (0.48) MMP2VCAM1SRD5A2CA1CA2
Potassium Ion SCHEMBL11586061 0.89 VCAM1 (0.54) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL250653 0.81 MMP2 (0.51) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL4365596 0.79 MMP2 (0.50) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL2572655 0.79 MMP2 (0.50) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL4365592 0.79 MMP2 (0.50) MMP2VCAM1SRD5A2TDP1CA1
SCHEMBL30138129 0.78 PTK2B (0.43) CA1CA2SMN1; SMN2
SCHEMBL1681520 0.78 PTK2B (0.43) CA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445141-B2 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2013-05-21 US disclosed
EP-1457511-B1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME MITSUI CHEMICALS INC (JP) 2009-07-15 EP disclosed
US-20090075147-A1 Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-19 US disclosed
EP-1497374-B1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GEN ELECTRIC (US) 2008-08-13 EP disclosed
EP-1889863-A1 SULFONIC ACID GROUP-CONTAINING POLYMER, METHOD FOR PRODUCING SAME, RESIN COMPOSITION CONTAINING SUCH SULFONIC ACID GROUP-CONTAINING POLYMER, POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE/ELECTRODE ASSEMBLY, AND FUEL CELL Toyo Boseki Kabushiki Kasisha (JP) 2008-02-20 EP disclosed
US-7244778-B2 Filler reinforced polyether imide resin composition and molded article thereof GENERAL ELECTRIC COMPANY (US) 2007-07-17 US disclosed
US-20050131105-A1 Filler reinforced polyether imide resin composition and molded article thereof SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2005-06-16 US disclosed
EP-1497374-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-01-19 EP disclosed
EP-1457511-A1 CROSSLINKABLE AROMATIC RESINS HAVING PROTONIC ACID GROUPS AND ION CONDUCTIVE POLYMER MEMBRANES BINDERS AND FUEL CELLS MADE BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2004-09-15 EP disclosed
WO-2003087226-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPAMY (US) 2003-10-23 WO disclosed
EP-0205042-A1 Bis(cyclic carbonates), precursors thereof, and polycarbonate compositions containing them GENERAL ELECTRIC COMPANY (US) 1986-12-17 EP disclosed
EP-0187640-A1 Flame retardant polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1986-07-16 EP disclosed
US-4579896-A CONTAINING BIS CYCLI CARBONATE AND EITHER SULFONIC ACID SALT DERIVATIVES OR HALOGEN-CONTAINING COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1986-04-01 US disclosed
US-4454275-A Flame retardant copolyester-carbonate compositions GENERAL ELECTRIC COMPANY (US) 1984-06-12 US disclosed
EP-0103123-A1 Flame retardant copolyester-carbonate compositions GENERAL ELECTRIC COMPANY (US) 1984-03-21 EP disclosed
US-4391935-A Flame retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1983-07-05 US disclosed
WO-1982002895-A1 FLAME RETARDANT POLYESTER-CARBONATE COMPOSITIONS GEN ELECTRIC (US) 1982-09-02 WO disclosed
US-4220583-A CONTAINING PARTIALLY FLUORINATED POLYOLEFIN AND ALKALI METAL SULFONATE GENERAL ELECTRIC COMPANY (US) 1980-09-02 US disclosed
US-4197232-A Flame retardant polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1980-04-08 US disclosed
US-3971756-A SILOXANE, ORGANIC ALKALI OR ALKALINE EARTH SALTS GENERAL ELECTRIC COMPANY (US) 1976-07-27 US disclosed