Water

Water

SCHEMBL597799

N#CC(C(N)=O)C(S)S.O.O.O

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.31
EPHX1 P07099 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
SCHEMBL17222372 1.00
SCHEMBL3666669 0.74
SCHEMBL28911243 0.74
SCHEMBL11342595 0.74 TSHR (0.33) MCL1
SCHEMBL16814565 0.74
SCHEMBL28435075 0.74
SCHEMBL5666365 0.74 MCL1 (0.31) MCL1
SCHEMBL906464 0.72
SCHEMBL320508 0.72
SCHEMBL1936953 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937173-B2 Anti-microRNA oligonucleotide molecules THE ROCKEFELLER UNIVERSITY (US) 2015-01-20 US disclosed
US-20140335605-A1 Anti-MicroRNA Oligonucleotide Molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-11-13 US disclosed
US-8816060-B2 Anti-microRNA oligonucleotide molecules ROCKEFELLER UNIVERSITY (US) 2014-08-26 US disclosed
US-20130078715-A1 Anti-MicroRNA Oligonucleotide Molecules ROCKEFELLER UNIVERSITY (US) 2013-03-28 US disclosed
US-8318926-B2 Anti-MicroRNA oligonucleotide molecules ROCKEFELLER UNIVERSITY (US) 2012-11-27 US disclosed
US-20120115220-A1 Anti-MicroRNA Oligonucleotide Molecules ROCKEFELLER UNIVERSITY (US) 2012-05-10 US disclosed
US-8114985-B2 Anti-MicroRNA oligonucleotide molecules ROCKEFELLER UNIVERSITY (US) 2012-02-14 US disclosed
US-20110165669-A1 Anti-MicroRNA Oligonucleotide Molecules ROCKEFELLER UNIVERSITY (US) 2011-07-07 US disclosed
EP-2327710-A1 Anti-microRNA oligonucleotide molecules THE ROCKEFELLER UNIVERSITY (US) 2011-06-01 EP disclosed
US-7943756-B2 Anti-microRNA oligonucleotide molecules ROCKEFELLER UNIVERSITY (US) 2011-05-17 US disclosed
US-20100286385-A1 Anti-MicroRNA Oligonucleotide Molecules ROCKEFELLER UNIVERSITY (US) 2010-11-11 US disclosed
US-7772389-B2 Inhibiting ribonucleoprotein particles (miRNPs) activity in a cell ROCKEFELLER UNIVERSITY (US) 2010-08-10 US disclosed
US-20070287179-A1 Inhibiting ribonucleoprotein particles (miRNPs) activity in a cell NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-13 US disclosed
EP-1723162-A2 ANTI-MICRORNA OLIGONUCLEOTIDE MOLECULES Rockefeller University (US) 2006-11-22 EP disclosed
WO-2005079397-A2 ANTI-MICRORNA OLIGONUCLEOTIDE MOLECULES ROCKEFELLER UNIVERSITY (US) 2005-09-01 WO disclosed
US-20050182005-A1 Anti-microRNA oligonucleotide molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US disclosed