Water

Water

SCHEMBL18890705

O.O.O=S(=O)([O-])c1ccc2[nH]c(S)nc2c1.[Na+]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 known ✓ P36888 1/20 0.34
HDAC6 known ✓ Q9UBN7 1/20 0.30
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN1 P18031 1/20 0.32
TERT O14746 1/20 0.31
NPBWR1 P48145 1/20 0.30

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
SCHEMBL2817416 0.98 LMNA (0.38) LMNATDP1TAS2R14FLT3NPSR1
Water SCHEMBL18890706 0.87 NPBWR1 (0.41) LMNATDP1ALDH1A1NPBWR1HDAC6
SCHEMBL2817421 0.85 NPBWR1 (0.42) LMNATDP1ALDH1A1NPBWR1HDAC6
Water SCHEMBL28362650 0.84 HDAC6 (0.44) TDP1TAS2R14ALDH1A1HSD17B10HDAC6
Water SCHEMBL28362573 0.83 HDAC6 (0.43) TDP1TAS2R14ALDH1A1HSD17B10HDAC6
SCHEMBL3391197 0.82 MAPT (0.44) LMNATDP1ALDH1A1HSD17B10
SCHEMBL1160168 0.82 HDAC6 (0.46) LMNATDP1TAS2R14ALDH1A1HSD17B10
SCHEMBL2817420 0.81 HDAC6 (0.44) LMNATDP1TAS2R14ALDH1A1HSD17B10
Ensulizole SCHEMBL3173641 0.74 NPBWR1 (0.58) LMNAALDH1A1MAPK1HSD17B10NPBWR1
SCHEMBL11094785 0.72 ACR (0.52) LMNANPSR1ALDH1A1MAPK1HSD17B10

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
US-12269904-B2 Sulfur-modified chloroprene rubber and method for producing same, sulfur-modified chloroprene rubber composition, vulcanizate, and molded article DENKA COMPANY LIMITED (JP) 2025-04-08 US claimed
CN-118854389-A Application of copper sulfate recovered from PCB waste liquid in electrolytic preparation of copper foil, raw material composition of electrolyte, electrolyte and preparation method of electrolyte, copper foil and preparation method and application of copper foil 江西理工大学 2024-10-29 CN claimed
CN-113166281-B Sulfur-modified chloroprene rubber and method for producing same, sulfur-modified chloroprene rubber composition, vulcanizate, and molded article 电化株式会社 2023-04-18 CN claimed
EP-3971218-B1 SULFUR-MODIFIED CHLOROPRENE RUBBER AND METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZATE, AND MOLDED ARTICLE DENKA COMPANY LTD (JP) 2023-03-15 EP claimed
CN-113661181-B Sulfur-modified chloroprene rubber and method for producing same, sulfur-modified chloroprene rubber composition, vulcanizate, and molded article 电化株式会社 2023-03-14 CN claimed
EP-3889186-B1 SULFUR-MODIFIED CHLOROPRENE RUBBER, METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZED PRODUCT AND MOLDED ARTICLE DENKA COMPANY LTD (JP) 2022-09-28 EP claimed
US-20220213235-A1 SULFUR-MODIFIED CHLOROPRENE RUBBER AND METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZATE, AND MOLDED ARTICLE DENKA COMPANY LIMITED (JP) 2022-07-07 US claimed
CN-113113321-B Semiconductor high-density lead frame and manufacturing process thereof 昆山弗莱吉电子科技有限公司 2022-02-11 CN claimed
CN-113661181-A Sulfur-modified chloroprene rubber and method for producing same, sulfur-modified chloroprene rubber composition, vulcanizate, and molded article 电化株式会社 2021-11-16 CN claimed
EP-3889186-A1 SULFUR-MODIFIED CHLOROPRENE RUBBER, METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZED PRODUCT AND MOLDED ARTICLE Denka Company Limited (JP) 2021-10-06 EP claimed
WO-2020230746-A1 SULFUR-MODIFIED CHLOROPRENE RUBBER AND METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZATE, AND MOLDED ARTICLE デンカ株式会社 2020-11-19 WO claimed
WO-2020189516-A1 SULFUR-MODIFIED CHLOROPRENE RUBBER, METHOD FOR PRODUCING SAME, SULFUR-MODIFIED CHLOROPRENE RUBBER COMPOSITION, VULCANIZED PRODUCT AND MOLDED ARTICLE デンカ株式会社 2020-09-24 WO claimed
CN-111041533-A Electroplating solution for electroplating pure cobalt and application thereof 苏州清飙科技有限公司 2020-04-21 CN claimed
CN-110819343-A Preparation method and application of red fluorescent copper nanocluster 山西大学 2020-02-21 CN claimed
US-20180112321-A1 ACIDIC COPPER PLATING SOLUTION, ACIDIC COPPER PLATED PRODUCT, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE FINE FEATURE ELECTRODEPOSITION RESEARCH INSTITUTE, INC. (JP) 2018-04-26 US claimed
CN-107699883-A A kind of green Chrome-free antirust passivating solution and preparation method thereof 荆门市拓达科技有限公司 2018-02-16 CN claimed
CN-107326349-A High-performance multi-component alloy catalytic liquid and preparation method thereof 荆门市拓达科技有限公司 2017-11-07 CN claimed
CN-104630756-A Method for forming high-thermal-conducting hydrophilic nano ceramic film on surface of aluminum SUZHOU ULTRAPOWER ENERGY STORAGE TECHNOLOGY CO LTD 2015-05-20 CN claimed
CN-101824209-B Preparation method of polyester acrylate hybrid aqueous dispersion UNIV HUNAN 2011-09-21 CN claimed
CN-101824209-A Preparation method of polyester acrylate hybrid aqueous dispersion UNIV HUNAN 2010-09-08 CN claimed