SCHEMBL3272927

SCHEMBL3272927

O=C([O-])c1cc(S(=O)(=O)O)c2cc(C(=O)[O-])ccc2c1.[Na+].[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 11)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 6/20 0.38
CA2 known ✓ P00918 6/20 0.38
HIPK2 Q9H2X6 9/20 0.48
ENPP2 Q13822 1/20 0.37
CSNK2A1 P68400 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP6 P55212 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 1/20 0.35

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
Zinc Ion SCHEMBL15387821 0.97 HIPK2 (0.44) HIPK2CA1CA2ENPP2CSNK2A1
SCHEMBL31042657 0.90 HIPK2 (0.48) HIPK2CSNK2A1PARP1
SCHEMBL9337233 0.90 HIPK2 (0.48) HIPK2CSNK2A1PARP1
SCHEMBL2964069 0.89 HIPK2 (0.47) HIPK2CA1CA2CSNK2A1PARP1
Zinc Ion SCHEMBL15387615 0.87 HIPK2 (0.44) HIPK2CSNK2A1ALDH1A1CYP2C9CYP2C19
SCHEMBL976104 0.79 CDC25B (0.47) ENPP2ALDH1A1HSD17B10
SCHEMBL29763597 0.79 CDC25B (0.47) ENPP2ALDH1A1HSD17B10
SCHEMBL7941298 0.78 CDC25B (0.46) ENPP2ALDH1A1HSD17B10
SCHEMBL1602218 0.78 CDC25B (0.46) ENPP2ALDH1A1HSD17B10
SCHEMBL7939204 0.78 CDC25B (0.46) ENPP2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588313-A1 Silver halide color photosensitive material KONICA CORPORATION (JP) 1994-03-23 EP claimed
US-10494741-B2 Absorbent fabric ASAHI KASEI FIBERS CORPORATION (JP) 2019-12-03 US disclosed
US-20190338448-A1 Wound Yard Body of Water Absorbent Polyester Fiber and Method for Manufacturing Same ASAHI KASEI KABUSHIKI KAISHA (US) 2019-11-07 US disclosed
EP-3564437-A1 WOUND YARN BODY OF WATER ABSORBENT POLYESTER FIBER AND METHOD FOR MANUFACTURING SAME ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-11-06 EP disclosed
EP-3075899-B1 ABSORBENT FABRIC ASAHI CHEMICAL IND (JP) 2019-01-09 EP disclosed
US-20160376730-A1 ABSORBENT FABRIC ASAHI KASEI KABUSHIKI KAISHA (JP) 2016-12-29 US disclosed
EP-3075899-A1 ABSORBENT FABRIC ASAHI KASEI KABUSHIKI KAISHA (JP) 2016-10-05 EP disclosed
US-7691483-B2 Resin-coated metal sheet JFE STEEL CORPORATION (JP) 2010-04-06 US disclosed
US-7438983-B2 Magnetic recording medium FUJIFILM CORPORATION (JP) 2008-10-21 US disclosed
US-7381485-B2 Magnetic recording tape FUJIFILM CORPORATION (JP) 2008-06-03 US disclosed
US-20070202309-A1 Resin-Coated Metal Sheet JFE STEEL CORPORATION (JP) 2007-08-30 US disclosed
US-20050260459-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2005-11-24 US disclosed
US-20050202289-A1 Magnetic recording tape FUJI PHOTO FILM CO., LTD. 2005-09-15 US disclosed
US-20050170216-A1 Magnetic recording tape FUJI PHOTO FILM, CO., LTD. 2005-08-04 US disclosed
US-20050170213-A1 magnetic layer containing ferromagnetic powder and binder, a nonmagnetic support; excellent in electromagnetic characteristics and durability, provides a highly reliable magnetic recording medium having a high SNR, good in rolling up property, and little damage of tape edge even in repeating running FUJI PHOTO FILM CO., LTD. 2005-08-04 US disclosed
US-20050170217-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2005-08-04 US disclosed
EP-1560204-A1 Magnetic recording tape FUJI PHOTO FILM CO., LTD. (JP) 2005-08-03 EP disclosed
EP-0669358-B1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD (JP) 2003-11-19 EP disclosed
US-5593778-A FIBERS, FABRICS, LACTIC ACID, POLYETHYLENE GLYCOL, A DICARBOXYPHENYL SULFONATE MONOMER KANEBO, LTD. (JP) 1997-01-14 US disclosed
EP-0669358-A1 BIODEGRADABLE COPOLYESTER, MOLDING PRODUCED THEREFROM, AND PROCESS FOR PRODUCING THE MOLDING KANEBO LTD. (JP) 1995-08-30 EP disclosed