SCHEMBL749971

SCHEMBL749971

O=S([O-])c1ccc(Cl)cc1.[Na+]

nearest known ligand 0.42

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 4/20 0.41
CA2 known ✓ P00918 4/20 0.41
CA12 known ✓ O43570 2/20 0.37
CA4 known ✓ P22748 2/20 0.37
LMNA P02545 2/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CA3 P07451 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CES2 O00748 1/20 0.35

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
Water SCHEMBL11627421 0.97 LMNA (0.40) LMNACYP2A6CA1CA2ALDH1A1
Potassium Ion SCHEMBL6700152 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
SCHEMBL19834077 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
Lithium Ion SCHEMBL3292255 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
SCHEMBL10980792 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
SCHEMBL2037913 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
SCHEMBL19834135 0.95 LMNA (0.42) LMNACYP2A6CA1CA2ALDH1A1
Tetramethylammonium Ion SCHEMBL19834093 0.88 MEN1 (0.37) LMNACYP2A6CA1CA2ALDH1A1
SCHEMBL11645920 0.88 MEN1 (0.37) LMNACYP2A6CA1CA2ALDH1A1
Tetrylammonium SCHEMBL19834090 0.81 KCNH2 (0.37) LMNAALDH1A1CYP3A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136752-A Alkenyl substituted tellurium organic compound, preparation method and application thereof in resisting plant pathogenic bacteria 贵州大学 2025-06-13 CN claimed
CN-117430125-B Preparation method and application of manganese doped mesoporous structure-containing acidic Beta zeolite molecular sieve 常州大学 2025-03-21 CN claimed
CN-119192041-A Method for preparing (1-bromo-2- (arylsulfonyl) ethyl) arene by solid-phase chemical method 四川轻化工大学 2024-12-27 CN claimed
CN-118878531-A Triazole antifungal compound and preparation method and application thereof 西南大学 2024-11-01 CN claimed
CN-118834161-A Preparation method of 3-sulfonyl-5-acetyl-1, 4 dihydropyridine compound 西北工业大学 2024-10-25 CN claimed
CN-118619916-A Sulfoxide imine N-sulfinylation compound and preparation method thereof 上海大学 2024-09-10 CN claimed
CN-117926289-A Method for electrochemically synthesizing N-sulfoamidine derivatives under mild condition 湘潭大学 2024-04-26 CN claimed
CN-117821998-A Sulfonylation reaction method for electrochemically catalyzing organic boric acid 南京林业大学 2024-04-05 CN claimed
CN-117430125-A Preparation method and application of manganese doped mesoporous structure-containing acidic Beta zeolite molecular sieve 常州大学 2024-01-23 CN claimed
CN-111943925-B Synthesis method of chromanone compounds 吉林警察学院 2023-04-14 CN claimed
CN-114591208-B Synthetic method of gamma-mercapto-beta-sulfonyl methyl butyrate 成都理工大学 2023-02-10 CN claimed
CN-115403494-A Method for synthesizing beta-hydroxy sulfone derivative through alkene dual functionalization initiated by oxygen under mild condition 湘潭大学 2022-11-29 CN claimed
CN-113307749-B Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative 佛山湘潭大学绿色智造研究院 2022-09-09 CN claimed
JP-58208265-A None JP disclosed
EP-4697432-A1 PRE-EMBEDDING AGENT, PRE-EMBEDDED LITHIUM POSITIVE ELECTRODE, PRE-EMBEDDED SODIUM POSITIVE ELECTRODE, SECONDARY BATTERY COMPRISING SAME, METHOD FOR PRE-EMBEDDING LITHIUM, AND METHOD FOR PRE-EMBEDDING SODIUM Zhejiang Yongtai Technology Co., Ltd. (CN) 2026-02-18 EP disclosed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
US-4089964-A APPLYING TO RICE A SULFUR-CONTAINING 1,1-DICHLOROALKENE-1 KUMIAI CHEMICAL INDUSTRY CO., LTD. (JA) 1978-05-16 US disclosed
US-4089972-A Organotin sulfinates as insecticides and acaricides UNIROYAL, INC. (US) 1978-05-16 US disclosed
US-4059635-A BACTERICIDE, FUNGICIDE SUGIYAMA HIRONARI 1977-11-22 US disclosed
US-4058392-A Tetrasubstituted urea compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed