Water

Water

SCHEMBL30286050

O.O=S(=O)([O-])c1cc2ccc3cccnc3c2nc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.46

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
▸ MMP8 known ✓ P22894 1/20 0.46
▸ MMP13 known ✓ P45452 1/20 0.46
▸ MEN1 known ✓ O00255 1/20 0.39
▸ KDM4E B2RXH2 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CCR1 P32246 2/20 0.46
▸ CCR5 P51681 2/20 0.46
▸ CCR8 P51685 2/20 0.46
▸ GMNN O75496 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL30554001 0.99 KDM4E (0.47) KDM4EMAPTTDP1LMNAHTT
Water SCHEMBL29026640 0.82 LMNA (0.45) KDM4EMAPTLMNAHTTSMN1; SMN2
SCHEMBL23246436 0.77 KDM4E (0.52) KDM4EMAPTTDP1LMNAHTT
SCHEMBL4108638 0.75 MAPK1 (0.66) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL6045190 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL8722750 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL29278209 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL623252 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL8686399 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT
Phenanthroline SCHEMBL30613730 0.74 KDM4E (0.70) KDM4EMAPTTDP1LMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115997257-B Silver nanowire dispersion, silver nanowire-containing conductor, and silver nanowire-containing conductive laminate 星光PMC株式会社 2024-10-15 — — CN disclosed
CN-115997257-A Silver nanowire dispersion, silver nanowire-containing conductor, and silver nanowire-containing conductive laminate 星光PMC株式会社 2023-04-21 — — CN disclosed
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