SCHEMBL29399950

SCHEMBL29399950

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 0.73

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
▸ CA2 known ✓ P00918 1/20 0.47
▸ THRB known ✓ P10828 2/20 0.47
▸ PRMT1 Q99873 1/20 0.73
▸ CYP1A2 P05177 3/20 0.66
▸ CYP2C9 P11712 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ DNASE1L3 Q13609 1/20 0.65
▸ PHLPP2 Q6ZVD8 1/20 0.59
▸ ENPP2 Q13822 6/20 0.58
▸ SUMO2 P61956 1/20 0.56
▸ SUMO1 P63165 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP2 Q9HC62 1/20 0.56
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GRK2 P25098 1/20 0.52
▸ PLEC Q15149 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ CD40 P25942 1/20 0.50

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
SCHEMBL3042237 0.99 PRMT1 (0.74) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL2161281 0.99 PRMT1 (0.74) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9273205 0.97 PRMT1 (0.73) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL11791675 0.97 PRMT1 (0.73) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9273197 0.97 PRMT1 (0.73) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL18888951 0.94 PRMT1 (0.65) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL5351115 0.91 CYP1A2 (0.71) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL5351119 0.91 CYP1A2 (0.71) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL24279794 0.90 CYP1A2 (0.70) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL5859444 0.90 CYP1A2 (0.70) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3948264-B1 NON-BLEACHING COLORIMETRIC AND FLUOROMETRIC ANALYTE DETECTION BY DEGRADATION OF SOLIDS HACH CO (US) 2026-05-06 — — EP disclosed
CN-119574540-A Colorimetric detection of fluoride in aqueous samples 哈希公司 2025-03-07 — — CN disclosed
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-20220178892-A1 NON-BLEACHING COLORIMETRIC AND FLUOROMETRIC ANALYTE DETECTION BY DEGRADATION OF SOLIDS HACH COMPANY 2022-06-09 — — US disclosed
US-11333645-B2 Colorimetric detection of fluoride in an aqueous sample HACH COMPANY (US) 2022-05-17 — — US disclosed
EP-3956659-A1 COLORIMETRIC DETECTION OF FLUORIDE IN AN AQUEOUS SAMPLE Hach Company (US) 2022-02-23 — — EP disclosed
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