Water

Water

SCHEMBL18890706

O.O.O=S(=O)([O-])c1ccc2nc(S)[nH]c2c1.[Na+]

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
HDAC6 known ✓ Q9UBN7 1/20 0.41
NPBWR1 P48145 1/20 0.41
SCD O00767 3/20 0.40
IDO1 P14902 1/20 0.39
CBFB Q13951 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL2817421 0.98 NPBWR1 (0.42) NPBWR1HDAC6SCDIDO1CBFB
Water SCHEMBL18890705 0.87 LMNA (0.37) NPBWR1HDAC6ALDH1A1LMNATDP1
SCHEMBL2817416 0.85 LMNA (0.38) NPBWR1HDAC6LMNATDP1
Water SCHEMBL28362651 0.84 HDAC6 (0.58) NPBWR1HDAC6SCDIDO1CBFB
SCHEMBL8089242 0.82 NPBWR1 (0.60) NPBWR1SCDCBFB
SCHEMBL4681427 0.82 HDAC6 (0.60) NPBWR1HDAC6SCDIDO1CBFB
SCHEMBL3391201 0.82 CA12 (0.53) NPBWR1HDAC6SCDIDO1KDM4E
SCHEMBL1160169 0.82 HDAC6 (0.60) NPBWR1HDAC6SCDIDO1CBFB
SCHEMBL8021452 0.81 HDAC6 (0.58) NPBWR1HDAC6SCDIDO1CBFB
SCHEMBL16134729 0.78 KDM4E (0.48) NPBWR1HDAC6SCDCBFBKDM4E

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 42 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
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
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
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
CN-110819343-B Fluorescence-enhanced glutathione detection method 山西大学 2021-07-02 CN 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-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
US-20250289909-A1 FUNCTIONALIZED AND CROSSLINKED POLYMERS PMIDG LLC (US) 2025-09-18 US disclosed
US-12378463-B2 Water-based resin with elasticity for applications in cementing and subterranean structures SAUDI ARABIAN OIL COMPANY (SA) 2025-08-05 US disclosed
US-12351656-B2 Functionalized and crosslinked polymers PMIDG, LLC (US) 2025-07-08 US disclosed
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 disclosed
CN-110819343-B Fluorescence-enhanced glutathione detection method 山西大学 2021-07-02 CN disclosed
CN-110819343-A Preparation method and application of red fluorescent copper nanocluster 山西大学 2020-02-21 CN disclosed
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 disclosed
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 disclosed
WO-2017090563-A1 ACIDIC COPPER PLATING SOLUTION, ACIDIC COPPER PLATED PRODUCT, AND METHOD FOR PRODUCING SEMICONDUCTOR DEVICE 近藤 和夫 2017-06-01 WO disclosed