SCHEMBL127635

SCHEMBL127635

O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]

nearest known ligand 0.62

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 2/20 0.62
APP P05067 2/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 2/20 0.51
CYP1A2 P05177 2/20 0.51
ENPP2 Q13822 3/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
PRMT1 Q99873 3/20 0.45
PRMT3 O60678 1/20 0.45
EP300 Q09472 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PTPN7 P35236 1/20 0.45
PTPN11 Q06124 1/20 0.45
PTPN1 P18031 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL30337585 1.00 THRB (0.62) THRBAPPMEN1KMT2ATDP1
SCHEMBL117324 0.87 THRB (0.58) THRBAPPMEN1KMT2ATDP1
SCHEMBL1598800 0.86 THRB (0.60) THRBAPPMEN1KMT2ATDP1
SCHEMBL26385 0.86 THRB (0.60) THRBAPPMEN1KMT2ATDP1
SCHEMBL29594423 0.86 THRB (0.57) THRBAPPMEN1KMT2ATDP1
SCHEMBL29883166 0.86 THRB (0.60) THRBAPPMEN1KMT2ATDP1
SCHEMBL29373132 0.86 THRB (0.60) THRBAPPMEN1KMT2ATDP1
SCHEMBL9406984 0.85 THRB (0.53) THRBAPPMEN1KMT2ATDP1
Amaranth SCHEMBL8618995 0.84 THRB (0.72) THRBAPPMEN1KMT2ATDP1
SCHEMBL8649053 0.84 MPL (0.55) THRBAPPMEN1KMT2ATDP1

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 1485 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242830-B2 ENZYME AND FABRIC HUEING AGENT CONTAINING COMPOSITIONS PROCTER & GAMBLE (US) 2020-03-11 EP claimed
EP-3259340-A1 FABRIC CARE COMPOSITION COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS The Procter and Gamble Company (US) 2017-12-27 EP claimed
EP-3101110-A1 ENZYME AND FABRIC HUEING AGENT CONTAINING COMPOSITIONS The Procter and Gamble Company (US) 2016-12-07 EP claimed
EP-3101111-A1 ENZYME AND FABRIC HUEING AGENT CONTAINING COMPOSITIONS The Procter and Gamble Company (US) 2016-12-07 EP claimed
WO-2016134088-A1 FABRIC CARE COMPOSITION COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS THE PROCTER & GAMBLE COMPANY (US) 2016-08-25 WO claimed
US-8999912-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2015-04-07 US claimed
EP-1483577-B1 ABSORBING ORGANIC REAGENTS INTO DIAGNOSTIC TEST DEVICES BY FORMATION OF AMINE SALT COMPLEXES SIEMENS HEALTHCARE DIAGNOSTICS (US) 2015-01-07 EP claimed
US-8512418-B2 Enzyme and fabric hueing agent containing compositions THE PROCTER & GAMBLE COMPANY (US) 2013-08-20 US claimed
US-20130196057-A1 METHOD FOR PREPARING A SURFACE ENHANCED RAMAN SPECTROSCOPY PARTICLE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-08-01 US claimed
EP-2242830-B1 ENZYME AND FABRIC HUEING AGENT CONTAINING COMPOSITIONS PROCTER & GAMBLE (US) 2013-03-13 EP claimed
US-20040162613-A1 Cosmetic and reconstructive prosthesis containing a biologically compatible rupture indicator TONABA HEALTHSCIENCE, LLC 2004-08-19 US claimed
US-20030194346-A1 Hydrogen peroxide and peracetic acid indicators and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US claimed
WO-2003057262-A1 HYDROGEN PEROXIDE AND PERACETIC ACID INDICATORS AND METHODS USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-07-17 WO claimed
US-6436419-B1 Antimicrobial treatment of polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-08-20 US claimed
WO-2002059093-A1 METHODS AND COMPOSITIONS FOR BINDING NUCLEIC ACID MOLECULES GENESPAN CORPORATION (US) 2002-08-01 WO claimed
EP-1115940-A1 ANTIMICROBIAL TREATMENT OF POLYMERS The Regents of the University of California (US) 2001-07-18 EP claimed
WO-2000015897-A1 ANTIMICROBIAL TREATMENT OF POLYMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-03-23 WO claimed
US-6020374-A INSULIN MIMICS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 2000-02-01 US claimed
US-5914806-A Stable electrophoretic particles for displays INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-06-22 US claimed
US-5364466-A Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-11-15 US claimed