Water

Water

SCHEMBL60878

O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2]

nearest known ligand 0.67

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 9)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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 SCHEMBL9150589 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4375705 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15068042 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL719719 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2025101 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4378846 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1653807 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7264813 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL194819 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL22204649 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR

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

Appears in 21450 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120859949-B Composite nano-particles of targeted mesenchymal stem cells and application thereof in preparation of medicines for promoting vascularization bone regeneration BEIJING STOMATOLOGICAL HOSPITAL, CAPITAL MEDICAL UNIVERSITY (CN) 2026-05-26 CN claimed
CN-116726723-B Preparation method of oil-water separation film with switchable interface wettability and optical driving self-cleaning function CHINA PETROLEUM & CHEMICAL CORP. (CN) 2026-05-26 CN claimed
CN-119039596-B Double-ion battery based on MOF-on-MOF framework anode material and high-concentration double-lithium salt electrolyte SOUTH CHINA University OF TECHNOLOGY ZHUHAI MODERN INDUSTRIAL INNOVATION INSTITUTE (CN) 2026-05-26 CN claimed
CN-121800548-B Modified manganous-manganic oxide and application thereof in soft magnetism Hunan Shuangfu New Material Technology Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119951576-B Hydrodenitrogenation catalyst, and preparation method and application thereof PETROCHINA COMPANY LIMITED (CN) 2026-05-26 CN claimed
CN-116314867-B High-load cobalt-based monoatomic catalyst applied to oxygen reduction and preparation method thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2026-05-26 CN claimed
CN-122076407-A Soil restoration drought-resistant material and preparation method thereof 2026-05-26 CN claimed
CN-122076397-A Nitrogen-doped zinc-based adsorbent, preparation method thereof and application thereof in radioactive cesium removal 2026-05-26 CN claimed
CN-122076489-A Iron single-atom composite catalyst with double-layer carbon-nitrogen shell structure and application thereof 2026-05-26 CN claimed
CN-122080589-A Latent curing epoxy resin-based sound absorption and insulation composite material and application thereof 2026-05-26 CN claimed
US-4851291-A Temperature adaptable textile fibers and method of preparing same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1989-07-25 US claimed
US-4780102-A TREATING WITH CROSSLINKING AGENT AND REACTIVE DYE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1988-10-25 US claimed
US-4743266-A CROSSLINKING, N-METHYLOL COMPOUND, QUATERNARY AMMONIUM COMPOUND THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1988-05-10 US claimed
US-4711640-A Process for crossdyeing cellulosic fabrics THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1987-12-08 US claimed
US-4629470-A PADDING WITH AN AQUEOUS SOLUTION OF AN N-METHYLOL CROSSLINKING AGENT, ACID CATALYST AND A CHOLINE SALT AND CURING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1986-12-16 US claimed
US-4615708-A Method for insitu coloring crosslinked cellulosic materials THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1986-10-07 US claimed
US-4556560-A TOPICAL APPLICATION OF KIPASE INHIBITING WATER SOLUBLE SALT THE PROCTER & GAMBLE COMPANY (US) 1985-12-03 US claimed
US-4020210-A Encapsulated water paper XEROX CORPORATION (US) 1977-04-26 US claimed
US-3975152-A DIMETHYLOL DIHYDROXYETHYLENEUREA, ACID CATALYST, BASIC DYE, HYDROXYETHYL CELLULOSE, CURING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-08-17 US claimed
US-3947613-A Process for reducing agent migration during treatment of knitted cotton fabric THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1976-03-30 US claimed