Water

Water

SCHEMBL7027290

O.O=C1NC2NC(=O)NC2N1.O=C1NC2NC(=O)NC2N1

nearest known ligand 0.37

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 6)

geneUniProtsupporting neighboursconfidence
ABL1 known ✓ P00519 1/20 0.33
MAPT P10636 1/20 0.37
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL36250 0.96 MAPT (0.39) MAPTABL1RIN1TDP1BACE1
Methoxymethane SCHEMBL1711287 0.82 ABL1 (0.34) MAPTABL1RIN1TDP1BACE1
Biphenyl SCHEMBL6024209 0.73 ALDH1A1 (0.47) MAPTTDP1
Ether SCHEMBL7027285 0.73 TDP1 (0.42) ABL1RIN1TDP1
SCHEMBL3384844 0.72
SCHEMBL9710968 0.65
SCHEMBL30007 0.64
SCHEMBL2873513 0.51
Water SCHEMBL29123856 0.47 KDM4E (0.46) MAPTTDP1TSHR
Water SCHEMBL1511933 0.41

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104698774-B semiconductor device process filter and method 台湾积体电路制造股份有限公司 2019-10-25 CN disclosed
CN-108122830-A Method for forming semiconductor device 台湾积体电路制造股份有限公司 2018-06-05 CN disclosed
CN-105047540-B Anti-reflecting layer and method 台湾积体电路制造股份有限公司 2018-05-25 CN disclosed
CN-105047540-A Anti-Reflective Layer and Method TAIWAN SEMICONDUCTOR MFG 2015-11-11 CN disclosed
EP-0830409-B1 WATER-SOLUBLE AMINOPLAST-ETHER COPOLYMERS SUED CHEMIE INC (US) 2003-01-22 EP disclosed
EP-1208147-A4 NONIONIC ASSOCIATIVE THICKENER COMPOSITION WITH IMPROVED VISCOSITY RETENTION UPON TINTING IN ARCHITECTURAL LATEX COATING SUED CHEMIE INC (US) 2002-10-16 EP disclosed
EP-1208147-A1 NONIONIC ASSOCIATIVE THICKENER COMPOSITION WITH IMPROVED VISCOSITY RETENTION UPON TINTING IN ARCHITECTURAL LATEX COATING Süd-Chemie, Inc. (US) 2002-05-29 EP disclosed
EP-0835241-B1 WATER BASED COATING COMPOSITION CONTAINING AN AMINOPLAST-ETHER COPOLYMER SUED CHEMIE INC (US) 2001-09-12 EP disclosed
WO-2001012712-A1 NONIONIC ASSOCIATIVE THICKENER COMPOSITION WITH IMPROVED VISCOSITY RETENTION UPON TINTING IN ARCHITECTURAL LATEX COATING SUD-CHEMIE, INC. (US) 2001-02-22 WO disclosed
US-5914373-A THICKENERS FOR WATER BASED COATINGS UNITED CATALYSTS, INC. (US) 1999-06-22 US disclosed
EP-0859755-A4 1998-08-26 EP disclosed
EP-0859755-A1 WATER-BASED COMPOSITION CONTAINING AN AMINOPLAST-ETHER COPOLYMER UNITED CATALYSTS, INC. (US) 1998-08-26 EP disclosed
EP-0830409-A4 1998-04-22 EP disclosed
EP-0830409-A1 WATER-SOLUBLE AMINOPLAST-ETHER COPOLYMERS UNITED CATALYSTS, INC. (US) 1998-03-25 EP disclosed
US-5629373-A Water based coating composition containing an aminoplast-ether copolymer UNITED CATALYSTS, INC. (US) 1997-05-13 US disclosed
US-5627232-A FOR USE IN COATINGS, ADHESIVES, QUENCHANTS, FLOCCULANTS, COSMETICS, INKS, TEXTILE PRINTING, PASTES, PERSONAL CARE PRODUCTS AND HYDRAULIC FLUIDS UNITED CATALYSTS, INC. (US) 1997-05-06 US disclosed
WO-1996040626-A1 WATER-BASED COMPOSITION CONTAINING AN AMINOPLAST-ETHER COPOLYMER UNITED CATALYSTS, INC. (US) 1996-12-19 WO disclosed
WO-1996040815-A1 WATER-SOLUBLE AMINOPLAST-ETHER COPOLYMERS UNITED CATALYSTS, INC. (US) 1996-12-19 WO disclosed