SCHEMBL22263172

SCHEMBL22263172

O=C([O-])c1snc(Cl)c1Cl.[Na+]

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.31
CA2 known ✓ P00918 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
Potassium Ion SCHEMBL2809238 0.96
Hydrochloric Acid SCHEMBL6230305 0.76 ALDH1A1 (0.36)
Methylene Chloride SCHEMBL7089348 0.72
SCHEMBL24769286 0.71 GFER (0.35)
SCHEMBL6750239 0.71 KMT2A (0.41)
SCHEMBL7256271 0.67
SCHEMBL6751984 0.67 KDM4E (0.46)
SCHEMBL9465959 0.66 HPGD (0.33)
SCHEMBL2901849 0.60
SCHEMBL11158135 0.59 CA1 (0.42) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768796-A Novel pyrazole-3-carboxamide derivative and preparation method and application thereof 河北农业大学 2023-09-19 CN claimed
CN-114292221-A Synthetic method and application of 2-aryl indole compound 河北农业大学 2022-04-08 CN claimed
CN-104649996-B Isothiazole oxime ether derivatives as well as preparation method and application thereof 南开大学 2017-02-22 CN claimed
CN-105732606-A Thiadiazole heterocycle-containing anabasine compound as well as preparation method and application thereof 南开大学 2016-07-06 CN claimed
CN-103467463-B One lignans analog derivative and its production and use 南开大学 2016-06-22 CN claimed
CN-105669643-A O-carboxamido benzamide derivative based on ryanodine receptor, and preparation method and application thereof 江西天人生态股份有限公司 2016-06-15 CN claimed
CN-105622597-A Chloroisothiazole neonicotine compound, as well as preparation method and application thereof UNIV NANKAI 2016-06-01 CN claimed
CN-104650059-A Thiazolone oxime ether derivatives, and preparation method and use thereof UNIV NANKAI 2015-05-27 CN claimed
CN-104649996-A Isothiazole oxime ether derivatives as well as preparation method and application thereof UNIV NANKAI 2015-05-27 CN claimed
CN-104650061-A Thiazole oxime ether compounds as well as preparation method and use thereof UNIV NANKAI 2015-05-27 CN claimed
CN-103232448-A 4, 5-dihydro thiazole alcoholic ester derivative containing 4-methyl-1, 2, 3-thiadiazole and preparation method and application thereof UNIV NANKAI 2013-08-07 CN claimed
CN-103012392-A Pyridine derivatives containing 1.2,3-thiadiazole, and preparation method and application thereof UNIV NANKAI 2013-04-03 CN claimed
CN-103012391-A Pyrimidine derivatives containing 1.2,3-thiadiazole, and preparation method and application thereof ANIMAL PLANT AND FOOD TESTING CT OF TIANJIN ENTRY EXIT INSPECTION AND QUARANTIME BUREAU 2013-04-03 CN claimed
CN-119080854-A Cytidine nucleoside compound based on glycine, preparation method and application thereof, and bactericidal and antiviral composition 沈阳农业大学 2024-12-06 CN disclosed
CN-113480466-B Indole substituted amide compound and preparation method and application thereof 厦门大学 2024-09-06 CN disclosed
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 CN disclosed
CN-104650059-A Thiazolone oxime ether derivatives, and preparation method and use thereof UNIV NANKAI 2015-05-27 CN disclosed
CN-103232448-A 4, 5-dihydro thiazole alcoholic ester derivative containing 4-methyl-1, 2, 3-thiadiazole and preparation method and application thereof UNIV NANKAI 2013-08-07 CN disclosed
CN-103012392-A Pyridine derivatives containing 1.2,3-thiadiazole, and preparation method and application thereof UNIV NANKAI 2013-04-03 CN disclosed
CN-103012391-A Pyrimidine derivatives containing 1.2,3-thiadiazole, and preparation method and application thereof ANIMAL PLANT AND FOOD TESTING CT OF TIANJIN ENTRY EXIT INSPECTION AND QUARANTIME BUREAU 2013-04-03 CN disclosed