Water

Water

SCHEMBL6810331

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O

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 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41

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 SCHEMBL27816464 0.97 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27896917 0.97 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27572598 0.97 STAT3 (0.40) STAT3STAT1
Water SCHEMBL28471817 0.97 STAT3 (0.40) STAT3STAT1
Water SCHEMBL17868370 0.97 STAT3 (0.40) STAT3STAT1
Water SCHEMBL27703706 0.97 STAT3 (0.40) STAT3STAT1
SCHEMBL29430977 0.97 STAT3 (0.42) STAT3STAT1
SCHEMBL30821407 0.97 STAT3 (0.42) STAT3STAT1
SCHEMBL6744970 0.97 STAT3 (0.42) STAT3STAT1
Iodide SCHEMBL6766123 0.95 STAT3 (0.39) STAT3STAT1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113827721-A Application of nano material in preparation of medicine for treating atherosclerosis 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-24 — — CN claimed
CN-1058388-C Stable freeze dried polyhematoporphyrin ether/ester composition QUADRA LOGIC TECH INC (CA) 2000-11-15 — — CN claimed
CN-1047973-A Stable freeze dried polyhematoporphyrin ether ether/ester composition QUADRA LOGIC TECH INC (CA) 1990-12-26 — — CN claimed
CN-120718691-A Complex metal fuel catalytic regeneration additive component and preparation method and application thereof 中国石油化工股份有限公司 2025-09-30 — — CN disclosed
CN-113827721-A Application of nano material in preparation of medicine for treating atherosclerosis 中国科学院宁波工业技术研究院慈溪生物医学工程研究所 2021-12-24 — — CN disclosed
CN-107075478-B Method for preparing platelet product 塞鲁斯公司 2021-11-09 — — CN disclosed
CN-109265465-B Novel pyropheophorbide a derivatives and preparation method and application thereof 陈志龙 2021-09-28 — — CN disclosed
CN-111770789-A System and method for treating biological fluids 塞鲁斯公司 2020-10-13 — — CN disclosed
CN-111655696-A Compositions and methods for pathogen inactivation of platelets 塞鲁斯公司 2020-09-11 — — CN disclosed
WO-2020015732-A1 USES OF SULFOXIDE COMPOUND FOR PREVENTING NERVOUS SYSTEM DISEASES 北京蔚蓝之源医药科技有限公司 2020-01-23 — — WO disclosed
WO-2020015731-A1 USES OF SULFOXIDE COMPOUND FOR PREVENTING RADIATION-INDUCED ORAL MUCOSITIS AND RELATED RADIOTHERAPY COMPLICATIONS 北京蔚蓝之源医药科技有限公司 2020-01-23 — — WO disclosed
CN-1081621-C Amino substituted demethoxy hypocrellin and its preparing method SENSITIVE CHEMISTRY INST CHINE (CN) 2002-03-27 — — CN disclosed
US-20010049350-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2001-12-06 — — US disclosed
EP-0910365-A4 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY ERGO RESEARCH CORP (US) 1999-12-01 — — EP disclosed
EP-0910365-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY Ergo Research Corporation (US) 1999-04-28 — — EP disclosed
CN-1194263-A Amino substituted demethoxy hypocrellin and its preparing method SENSITIVE CHEMISTRY INST CHINE (CN) 1998-09-30 — — CN disclosed
WO-1997040829-A9 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY — 1998-01-22 — — WO disclosed
WO-1997040829-A1 GROWTH INHIBITION AND ERADICATION OF SOLID TUMORS USING NEUROENDOCRINE RESETTING THERAPY AND PHOTODYNAMIC THERAPY ERGO RESEARCH CORPORATION (US) 1997-11-06 — — WO disclosed
CN-1113914-A Hematoporphyrin ether derivatives and their preparing method NO 2 MILITARY MEDICAL COLLEGE (CN) 1995-12-27 — — CN disclosed
WO-1991001727-A2 METHOD OF DETECTION AND TREATMENT OF MALIGNANT AND NON-MALIGNANT LESIONS BY PHOTOCHEMOTHERAPY QUEEN'S UNIVERSITY AT KINGSTON (CA) 1991-02-21 — — WO disclosed
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