SCHEMBL563335

SCHEMBL563335

O=c1ccc2nc3ccc(OCc4ccccc4)cc3oc-2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.79
CYP1A2 P05177 1/20 0.70
MAOB P27338 4/20 0.53
MAOA P21397 2/20 0.53
NPC1 O15118 2/20 0.53
MEN1 O00255 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
MTNR1A P48039 1/20 0.53
KMT2A Q03164 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SLC16A3 O15427 1/20 0.47
ACHE P22303 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29809000 1.00 APP (0.79) APPCYP1A2MAOBMAOANPC1
SCHEMBL1093700 0.91 APP (0.67) APPCYP1A2MAOBMAOANPC1
SCHEMBL19627050 0.89 APP (0.78) APPCYP1A2MAOBMAOAACHE
SCHEMBL1104921 0.88 APP (1.00) APPCYP1A2NPC1MEN1KMT2A
SCHEMBL18467806 0.88 APP (0.80) APPCYP1A2MAOBMAOANPC1
SCHEMBL10167879 0.88 APP (0.80) APPCYP1A2MAOBMAOANPC1
SCHEMBL19627047 0.88 APP (0.70) APPCYP1A2
SCHEMBL10167864 0.87 APP (1.00) APPCYP1A2MAOBMAOANPC1
SCHEMBL23623803 0.85 APP (0.78) APPCYP1A2MAOBMAOANPC1
SCHEMBL19630615 0.85 APP (0.75) APPCYP1A2MAOBMAOANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103487412-B Method for constructing rapid hepatotoxicity predication model of phenolic compound UNIV SHANGHAI JIAOTONG 2015-07-15 CN claimed
CN-103487412-A Method for constructing rapid hepatotoxicity predication model of phenolic compound UNIV SHANGHAI JIAOTONG 2014-01-01 CN claimed
EP-1268848-A2 MONOOXYGENASE ASSAYS Aclara BioSciences, Inc. (US) 2003-01-02 EP claimed
WO-2001073113-A2 MONOOXYGENASE ASSAYS ACLARA BIOSCIENCES, INC. (US) 2001-10-04 WO claimed
EP-1083223-A1 NOVEL IMMORTALIZED HEPATIC CELL LINE ORIGINATING IN HUMANS Takeda Chemical Industries, Ltd. (JP) 2001-03-14 EP claimed
EP-4732010-A1 MICROFLUIDIC ENZYME ASSAYS University of Helsinki (FI) 2026-04-29 EP disclosed
EP-4560009-A1 METHOD FOR THE PREPARATION OF ISOLATED LIVER-DERIVED CELLS Cellaïon SA (BE) 2025-05-28 EP disclosed
CN-119979693-A MiRNA as biomarker for Parkinson's disease and diagnostic kit using miRNA 帕美尔生物技术有限公司 2025-05-13 CN disclosed
CN-113293150-B Mutant enzymes 牛津大学科技创新有限公司 2025-05-13 CN disclosed
US-20250113821-A1 Methods and Compositions for Preserving Tissues and Organs MASSACHUSETTS GEN HOSPITAL (US) 2025-04-10 US disclosed
US-12239126-B2 Methods and compositions for preserving tissues and organs THE GENERAL HOSPITAL CORPORATION (US) 2025-03-04 US disclosed
CN-111344417-B MiRNA as biomarker for Parkinson's disease and diagnostic kit using miRNA 国民大学校产学协力团 2025-01-28 CN disclosed
WO-2001073113-A2 MONOOXYGENASE ASSAYS ACLARA BIOSCIENCES, INC. (US) 2001-10-04 WO disclosed
EP-1135521-A2 METHOD FOR MEASURING ENZYME ACTIVITY BY USING A SIDE REACTION OF SAID ENZYME UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-09-26 EP disclosed
US-6207404-B1 SUBJECTING THE CYTOCHROME P450 ENZYME AND THE COUMARIN BASED COMPOUND TO CONDITIONS WHEREBY THE CYTOCHROME P450 ENZYME CATALYZES THE CONVERSION OF THE COUMARIN BASED COMPOUND TO A FLUORESCENT PRODUCT GENTEST CORPORATION 2001-03-27 US disclosed
EP-1083223-A1 NOVEL IMMORTALIZED HEPATIC CELL LINE ORIGINATING IN HUMANS Takeda Chemical Industries, Ltd. (JP) 2001-03-14 EP disclosed
WO-2001014361-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2001-03-01 WO disclosed
WO-2001007069-A1 IN VIVO INDUCTION FOR ENHANCED FUNCTION OF ISOLATED HEPATOCYTES ORGANOGENESIS INC. (US) 2001-02-01 WO disclosed
WO-2000034506-A2 METHOD OF SCREENING CANDIDATE COMPOUNDS FOR SUSCEPTIBILITY TO OXIDATIVE METABOLISM UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-15 WO disclosed
WO-1992014817-A1 IN VIVO ASSAY SYSTEMS FOR METABOLIC ROUTES IMPERIAL CANCER RESEARCH TECHNOLOGY LIMITED (GB) 1992-09-03 WO disclosed