SCHEMBL6544032

SCHEMBL6544032

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

nearest known ligand 0.50

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 15)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.36
CA4 known ✓ P22748 2/20 0.33
CA1 known ✓ P00915 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
ATR Q13535 1/20 0.50
MEN1 O00255 1/20 0.43
LDHA P00338 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
FAHD1 Q6P587 1/20 0.31

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
SCHEMBL4583197 1.00
SCHEMBL7198652 1.00 TSHR (0.50) TSHRATMATRMEN1LDHA
Methane SCHEMBL8628684 0.95
SCHEMBL1275553 0.94 TSHR (0.56) TSHRATMATRMEN1LDHA
SCHEMBL3806484 0.89 TSHR (0.50) TSHRATMATRMEN1LDHA
SCHEMBL915202 0.89
SCHEMBL14675055 0.89
SCHEMBL7772035 0.89 TSHR (0.50) TSHRATMATRMEN1LDHA
SCHEMBL22711596 0.89
Silver SCHEMBL4294702 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797195-B1 Method for recovering and separating metals from waste streams YA GLOBAL INVESTMENTS, L.P. 2004-09-28 US disclosed
US-6274045-B1 UNIQUE COMPLEXING AGENT COMPRISING A THIOCARBAMATE COMPOUND AND AN ALKALI METAL HYDROXIDE WHICH FACILITATES THE FORMATION OF THE METALS INTO IONIC METAL PARTICLES ENABLING THEM TO BE READILY SEPARATED, REMOVED AND RECOVERED. YA GLOBAL INVESTMENTS, L.P. 2001-08-14 US disclosed
US-6270679-B1 COMPLEXING CADMIUM OR LEAD WITH SODIUM, POTASSIUM, OR CALCIUM HYDROXIDE AND SODIUM OR ZINC DIMETHYLDITHIOCARBAMATE; PRECIPITATING SLUDGE; DRYING, MELTING YA GLOBAL INVESTMENTS, L.P. 2001-08-07 US disclosed
US-6254782-B1 FEEDING LIQUID MINE WASTE AND MINE EFFLUENT INTO CHAMBER; ADJUSTING PH; ADDING COMPLEXING AGENT, FLOCCULATING AGENT AND CALCIUM CHLORIDE AS AN AGGREGATING AGENT; DEWATERING,DRYING, AND MELTING SLUDGE; DISCHARGING EFFLUENT YA GLOBAL INVESTMENTS, L.P. 2001-07-03 US disclosed
US-H1852-H Waste treatment of metal plating solutions MORTON INTERNATIONAL INC. (US) 2000-06-06 US disclosed
WO-1999034926-A1 METHOD FOR RECOVERING AND SEPARATING METALS FROM WASTE STREAMS KREISLER LAWRENCE (US) 1999-07-15 WO disclosed
EP-0922678-A1 Waste treatment of metal plating solutions MORTON INTERNATIONAL, INC. (US) 1999-06-16 EP disclosed
US-5908559-A Method for recovering and separating metals from waste streams YA GLOBAL INVESTMENTS, L.P. 1999-06-01 US disclosed
US-5888385-A PUMP WITH PRESSURE AND VACUUM SIDES; FILTER AND BED OF CARBON PARTICLES; INTERNAL COMBUSTION ENGINES CENTURY MANUFACTURING COMPANY (US) 1999-03-30 US disclosed
US-5753125-A COMPLEXING THE METAL SOLUTION WITH DIMETHYL DITHIOCARBAMATE, WATER AND SODIUM HYDROXIDE COMPLEXING AGENT IN ALKALINE PH, PRECIPITATING METAL FROM MIXTURE TO FORM IONIC SLUDGE, DEWATERING SLUDGE TO RECOVER PRECIOUS AND NON-PRECIOUS METALS YA GLOBAL INVESTMENTS, L.P. 1998-05-19 US disclosed
US-5549832-A PRECIPITATION OF METALS IN WITH ALKALINE COOLANT WITH SODIUM DIALKYLDITHIOCARBAMATE, BASIFICATION FOR COAGULATION, FILTRATION AND CLEANING CENTURY MANUFACTURING COMPANY (US) 1996-08-27 US disclosed
EP-0626876-A1 PROCESS, APPARATUS AND COMPOSITION FOR RECYCLING ENGINE COOLANT FPPF CHEMICAL CO. INC. (US) 1994-12-07 EP disclosed
WO-1993014851-A1 PROCESS, APPARATUS AND COMPOSITION FOR RECYCLING ENGINE COOLANT FPPF CHEMICAL CO. INC. (US) 1993-08-05 WO disclosed