SCHEMBL686699

SCHEMBL686699

O=S(=O)([O-])c1ccc2cc3ccccc3cc2c1.[Na+]

nearest known ligand 0.55

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
CA1 known ✓ P00915 1/20 0.44
CA2 known ✓ P00918 1/20 0.44
P2RY2 known ✓ P41231 1/20 0.43
LMNA P02545 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
DUSP5 Q16690 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
POLB P06746 1/20 0.45
APOBEC3A P31941 1/20 0.45
CASP6 P55212 1/20 0.45
KMT2A Q03164 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
MCOLN3 Q8TDD5 3/20 0.44
TSHR P16473 1/20 0.44
CA9 Q16790 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
SCHEMBL29829127 1.00 LMNA (0.55) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL2856912 0.96 LMNA (0.55) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL125148 0.93 LMNA (0.63) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL29368068 0.93 LMNA (0.63) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL30033020 0.93 LMNA (0.63) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL12234418 0.93 LMNA (0.63) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL30079649 0.93 LMNA (0.63) LMNAL3MBTL1TDP1DUSP5F2
Formaldehyde SCHEMBL912817 0.89 LMNA (0.59) LMNAL3MBTL1TDP1DUSP5F2
SCHEMBL9888371 0.89 LMNA (0.63) LMNAL3MBTL1F2PRSS1PRSS2
Silver SCHEMBL1177403 0.89 LMNA (0.63) LMNAL3MBTL1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023043974-A1 USE OF FLUORESCENT TRACERS TO MONITOR NUTRIENT CONCENTRATIONS IN SOLUTION FEHR SOLUTIONS, LLC (US) 2023-03-23 WO claimed
EP-1891418-B1 FLUOROMETRIC METHOD FOR MONITORING A CLEAN-IN-PLACE SYSTEM NALCO CO (US) 2017-01-18 EP claimed
EP-2322269-B1 Method of Monitoring Membrane Separation Processes NALCO CO (US) 2012-10-31 EP claimed
JP-4808775-B2 2011-11-02 JP claimed
EP-2322269-A1 Method of Monitoring Membrane Separation Processes Nalco Company (US) 2011-05-18 EP claimed
EP-1891418-A2 FLUOROMETRIC METHOD FOR MONITORING A CLEAN-IN-PLACE SYSTEM Nalco Company (US) 2008-02-27 EP claimed
WO-2006135938-A9 FLUOROMETRIC METHOD FOR MONITORING A CLEAN-IN-PLACE SYSTEM NALCO CO (US) 2007-03-08 WO claimed
US-7169236-B2 Method of monitoring membrane cleaning processes NALCO COMPANY (US) 2007-01-30 US claimed
WO-2006135938-A2 FLUOROMETRIC METHOD FOR MONITORING A CLEAN-IN-PLACE SYSTEM NALCO COMPANY (US) 2006-12-21 WO claimed
US-20060286676-A1 Fluorometric method for monitoring a clean-in-place system ECOLAB USA INC. 2006-12-21 US claimed
US-6821428-B1 CONTINUOUS MEASUREMENT OF INERT TRACER FLUORESCENT SIGNAL IN PERMEATE AND/OR CONCENTRATE STREAM NALCO COMPANY 2004-11-23 US claimed
US-20040185472-A1 Method of monitoring membrane separation processes NALCO COMPANY 2004-09-23 US claimed
US-20040132195-A1 Method of monitoring membrane cleaning processes ECOLAB USA INC. 2004-07-08 US claimed
US-20040118776-A1 Method of monitoring membrane separation processes NALCO COMPANY 2004-06-24 US claimed
US-20040104171-A1 Method of monitoring membrane separation processes ECOLAB USA INC. 2004-06-03 US claimed
US-20040104169-A1 Method of monitoring membrane separation processes ECOLAB USA INC. 2004-06-03 US claimed
US-6730227-B2 Method of monitoring membrane separation processes NALCO COMPANY 2004-05-04 US claimed
WO-2003082450-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES NALCO COMPANY (US) 2003-10-09 WO claimed
WO-2003082447-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES NALCO COMPANY (US) 2003-10-09 WO claimed
US-20030183575-A1 METHOD OF MONITORING MEMBRANE SEPARATION PROCESSES ECOLAB USA INC. 2003-10-02 US claimed