SCHEMBL7558820

SCHEMBL7558820

O=S(=O)([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[Na+].[Na+].[Na+]

nearest known ligand 0.70

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 0.56
▸ MEN1 O00255 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ GRK2 P25098 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ PLEC Q15149 1/20 0.70
▸ PTPN1 P18031 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ APP P05067 1/20 0.57
▸ DUSP5 Q16690 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ APEX1 P27695 2/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ DNASE1L3 Q13609 1/20 0.47
▸ PLCG1 P19174 1/20 0.47
▸ PHLPP2 Q6ZVD8 1/20 0.46

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
SCHEMBL29396086 1.00 MEN1 (0.70) MEN1POLBGRK2KMT2APLEC
SCHEMBL29538678 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL11791659 0.94 MEN1 (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL11791648 0.94 MEN1 (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL5859446 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL287038 0.94 POLB (0.66) MEN1POLBGRK2KMT2APLEC
SCHEMBL29355238 0.93 MEN1 (0.65) MEN1POLBGRK2KMT2APLEC
SCHEMBL590957 0.90 MEN1 (0.61) MEN1POLBGRK2KMT2APLEC
SCHEMBL29833871 0.90 MEN1 (0.61) MEN1POLBGRK2KMT2APLEC
SCHEMBL5859497 0.90 MEN1 (0.61) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022122659-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES WEBER GERHARD (DE) 2022-06-16 — — WO disclosed
EP-4012395-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES Weber, Gerhard (DE) 2022-06-15 — — EP disclosed
US-10067089-B2 Free-flow electrophoresis method for separating analytes FFE SERVICE GMBH (DE) 2018-09-04 — — US disclosed
US-20160238560-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES FFE SERVICE GMBH (DE) 2016-08-18 — — US disclosed
EP-3017297-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES FFE Service GmbH (DE) 2016-05-11 — — EP disclosed
WO-2015000600-A1 FREE-FLOW ELECTROPHORESIS METHOD FOR SEPARATING ANALYTES FFE SERVICE GMBH (DE) 2015-01-08 — — WO disclosed
EP-2821781-A1 Free-flow electrophoresis method for separating analytes FFE Service GmbH (DE) 2015-01-07 — — EP disclosed
US-20020015858-A1 Optical recording medium and composition used for recording layer thereof TOYO INK MFG. CO., LTD. (JP) 2002-02-07 — — US disclosed
US-5397710-A Fixing complexometric dye, metal mask, chelate compound alkaline buffer, and stabilizer on bibulous material covered with semipermeable membrane DAVID DIAGNOSTICS, INC. (US) 1995-03-14 — — US disclosed
WO-1993008684-A1 PROCESS AND DEVICE FOR MEASURING MAGNESIUM IN BIOLOGICAL FLUIDS AND METHOD OF PREPARING THE DEVICE STEINMAN GARY D (US) 1993-05-13 — — WO disclosed
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