SCHEMBL3879352

SCHEMBL3879352

S=C([S-])NN1CCCC1.[Na+]

nearest known ligand 0.60

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 15/20 0.60
CA1 known ✓ P00915 14/20 0.60
CA12 known ✓ O43570 14/20 0.60
THRB known ✓ P10828 1/20 0.32
CA9 Q16790 14/20 0.60
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6515026 0.97 CA2 (0.58) CA2CA1CA12CA9HTT
Potassium Ion SCHEMBL7562133 0.95 CA2 (0.64) CA2CA1CA12CA9HTT
Potassium Ion SCHEMBL11805822 0.95 CA2 (0.64) CA2CA1CA12CA9HTT
SCHEMBL16290412 0.95 CA2 (0.60) CA2CA1CA12CA9HTT
SCHEMBL27470250 0.95 CA2 (0.60) CA2CA1CA12CA9HTT
Ammonia Solution, Strong SCHEMBL25306979 0.92 CA2 (0.58) CA2CA1CA12CA9HTT
SCHEMBL4443515 0.88 CA2 (0.54) CA2CA1CA12CA9HTT
SCHEMBL4437819 0.86 CA2 (0.52) CA2CA1CA12CA9HTT
SCHEMBL3772058 0.78 CA12 (0.95) CA2CA1CA12CA9HTT
SCHEMBL9753805 0.78 CA12 (0.91) CA2CA1CA12CA9HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080342-A Biological film integrated sewage treatment process 海南鹏源水环境治理科技有限公司 2024-12-06 CN claimed
WO-2023103293-A1 ADDITIVE FOR COPPER PLATING SOLUTION, COPPER PLATING SOLUTION, COPPER-PLATED THIN FILM AND PREPARATION METHOD THEREFOR, NEGATIVE ELECTRODE CURRENT COLLECTOR, AND LITHIUM BATTERY 江阴纳力新材料科技有限公司 2023-06-15 WO claimed
CN-114351128-A Copper plating solution additive, copper plating solution, copper plated film and preparation method thereof, negative current collector and lithium battery 江阴纳力新材料科技有限公司 2022-04-15 CN claimed
CN-110683975-A Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2020-01-14 CN claimed
US-7485178-B2 Ink composition for inkjet recording, ink cartridge including the ink composition, and inkjet recording apparatus including the ink cartridge SAMSUNG ELECTRONICS CO., LTD (KR) 2009-02-03 US claimed
US-20080289536-A1 INK COMPOSITION FOR INKJET RECORDING, INK CARTRIDGE INCLUDING THE INK COMPOSITON, AND INKJET RECORDING APPARATUS INCLUDING THE INK CARTRIDGE SAMSUNG ELECTRONICS CO., LTD (KR) 2008-11-27 US claimed
WO-2007096891-A1 SIMULTANEOUS SEPARATION OF HEAVY METALS AND ORGANIC MATERIALS FROM SOIL, SLUDGE OR SEDIMENTS LUDMER ZVI (IL) 2007-08-30 WO claimed
EP-0666741-B1 DITHIOCARBAMATES FOR THE TREATMENT OF ATHEROSCLEROSIS AND OTHER CARDIOVASCULAR AND INFLAMMATORY DISEASES UNIV EMORY (US) 1999-08-11 EP claimed
EP-0506132-B1 Method for removal of mercury in exhaust gas ORIENTAL TECHNICAL RESEARCH IN (JP) 1996-02-14 EP claimed
JP-54032413-A None JP disclosed
CN-119080342-A Biological film integrated sewage treatment process 海南鹏源水环境治理科技有限公司 2024-12-06 CN disclosed
WO-2023103293-A1 ADDITIVE FOR COPPER PLATING SOLUTION, COPPER PLATING SOLUTION, COPPER-PLATED THIN FILM AND PREPARATION METHOD THEREFOR, NEGATIVE ELECTRODE CURRENT COLLECTOR, AND LITHIUM BATTERY 江阴纳力新材料科技有限公司 2023-06-15 WO disclosed
WO-2023103293-A1 ADDITIVE FOR COPPER PLATING SOLUTION, COPPER PLATING SOLUTION, COPPER-PLATED THIN FILM AND PREPARATION METHOD THEREFOR, NEGATIVE ELECTRODE CURRENT COLLECTOR, AND LITHIUM BATTERY 江阴纳力新材料科技有限公司 2023-06-15 WO disclosed
CN-112552219-B Sodium (3-allylthiourea) (thio) methyl mercaptide and preparation method thereof 陕西科技大学 2023-03-24 CN disclosed
WO-1995030415-A1 TREATMENT FOR ATHEROSCLEROSIS AND OTHER CARDIOVASCULAR AND INFLAMMATORY DISEASES EMORY UNIVERSITY (US) 1995-11-16 WO disclosed
EP-0666741-A1 DITHIOCARBAMATES FOR THE TREATMENT OF ATHEROSCLEROSIS AND OTHER CARDIOVASCULAR AND INFLAMMATORY DISEASES EMORY UNIVERSITY (US) 1995-08-16 EP disclosed
US-5380747-A Treatment for atherosclerosis and other cardiovascular and inflammatory diseases EMORY UNIVERSITY (US) 1995-01-10 US disclosed
WO-1994009772-A1 DITHIOCARBAMATES FOR THE TREATMENT OF ATHEROSCLEROSIS AND OTHER CARDIOVASCULAR AND INFLAMMATORY DISEASES EMORY UNIVERSITY (US) 1994-05-11 WO disclosed
EP-0506132-A1 Method for removal of mercury in exhaust gas Oriental Technical Research Industry Co., Ltd. (JP) 1992-09-30 EP disclosed
JP-S5432413-A PREPARATION OF KETOSE UBE IND LTD 1979-03-09 JP disclosed