SCHEMBL700390

SCHEMBL700390

O=S(=O)([O-])c1cc(O)c2c(O)c(/N=N/c3cc(Cl)ccc3O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 3/20 0.41
MEN1 O00255 1/20 1.00
POLB P06746 1/20 1.00
GRK2 P25098 1/20 1.00
KMT2A Q03164 1/20 1.00
PLEC Q15149 1/20 1.00
PTPN1 P18031 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
USP2 O75604 1/20 0.53
ATM Q13315 1/20 0.53
PRMT1 Q99873 1/20 0.51
APEX1 P27695 2/20 0.48
CYP1A2 P05177 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP2C9 P11712 1/20 0.47
DNASE1L3 Q13609 1/20 0.47
DUSP5 Q16690 2/20 0.45
APP P05067 1/20 0.45
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL29859205 1.00 MEN1 (1.00) MEN1POLBGRK2KMT2APLEC
SCHEMBL11754845 1.00 MEN1 (1.00) MEN1POLBGRK2KMT2APLEC
SCHEMBL29527866 0.91 MEN1 (0.83) MEN1POLBGRK2KMT2APLEC
SCHEMBL30371141 0.91 MEN1 (0.83) MEN1POLBGRK2KMT2APLEC
SCHEMBL4326683 0.88 MEN1 (0.78) MEN1POLBGRK2KMT2APLEC
SCHEMBL30358116 0.88 MEN1 (0.78) MEN1POLBGRK2KMT2APLEC
SCHEMBL29381693 0.88 MEN1 (0.78) MEN1POLBGRK2KMT2APLEC
SCHEMBL4326697 0.88 MEN1 (0.78) MEN1POLBGRK2KMT2APLEC
SCHEMBL11763979 0.85 MEN1 (0.74) MEN1POLBGRK2KMT2APLEC
SCHEMBL11763970 0.85 MEN1 (0.74) MEN1POLBGRK2KMT2APLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884784-B2 Photodynamic compositions, methods of making, and uses thereof NORTH CAROLINA STATE UNIVERSITY (US) 2024-01-30 US claimed
EP-3951363-B1 WATER HARDNESS MONITORING VIA FLUORESCENCE ECOLAB USA INC (US) 2023-06-07 EP claimed
US-20230002551-A1 POLYESTER RESIN AND METHOD FOR PRODUCING POLYESTER RESIN TOYOBO CO., LTD. (JP) 2023-01-05 US claimed
EP-4079783-A1 POLYESTER RESIN AND METHOD FOR PRODUCING POLYESTER RESIN TOYOBO CO., LTD. (JP) 2022-10-26 EP claimed
CN-114787235-A Polyester resin and method for producing polyester resin 东洋纺株式会社 2022-07-22 CN claimed
EP-3951363-A1 WATER HARDNESS MONITORING VIA FLUORESCENCE Ecolab USA Inc. (US) 2022-02-09 EP claimed
EP-2972233-B1 WATER HARDNESS MONITORING VIA FLUORESCENCE ECOLAB USA INC (US) 2022-01-19 EP claimed
US-20180356387-A1 Multi-Compartment Package ECOLAB USA INC. (US) 2018-12-13 US claimed
US-10078073-B2 Multi-compartment package ECOLAB USA INC. (US) 2018-09-18 US claimed
CN-105190289-B Pass through the fluorescence monitoring water hardness 艺康美国股份有限公司 2018-02-16 CN claimed
CN-1610561-A Hydrogen peroxide and peracetic acid indicators and methods using the same 3M INNOVATIVE PROPERTIES CO (US) 2005-04-27 CN claimed
EP-1465671-A1 HYDROGEN PEROXIDE AND PERACETIC ACID INDICATORS AND METHODS USING THE SAME 3M Innovative Properties Company (US) 2004-10-13 EP claimed
US-6790666-B2 MONITORING WATER HARDNESS IN BOILERS; PLASMOCORINTH B; ANTISCALING AGENTS NALCO COMPANY 2004-09-14 US claimed
WO-2004046256-A1 AQUEOUS, COLLOIDAL GAS BLACK SUSPENSION DEGUSSA AG (DE) 2004-06-03 WO claimed
US-20030194346-A1 Hydrogen peroxide and peracetic acid indicators and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US claimed
WO-2003058218-A1 FLUROMETRIC MONITORING AND CONTROL OF SOLUBLE HARDNESS OF WATER USED IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2003-07-17 WO 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-20030124731-A1 Method to ascertain whether soluble hardness is calcium or magnesium based ECOLAB USA INC. 2003-07-03 US claimed
US-5914806-A Stable electrophoretic particles for displays INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-06-22 US claimed
US-4287481-A Dye lasers KLEINERMAN MARCOS 1981-09-01 US claimed