SCHEMBL1276381

SCHEMBL1276381

NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 1.00
LMNA P02545 1/20 0.75
PMP22 Q01453 1/20 0.75
TP53 P04637 1/20 0.75
TSHR P16473 1/20 0.75
ALOX12 P18054 1/20 0.75
P2RY1 P47900 6/20 0.73
P2RY2 P41231 2/20 0.73
P2RX1 P51575 2/20 0.73
P2RX3 P56373 2/20 0.73
ALDH1A1 P00352 2/20 0.73
SRC P12931 1/20 0.73
P2RX4 Q99571 1/20 0.73
P2RX2 Q9UBL9 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
LDHA P00338 1/20 0.72
LDHB P07195 1/20 0.72
MACROD2 A1Z1Q3 1/20 0.69
SIRT6 Q8N6T7 1/20 0.69
MACROD1 Q9BQ69 1/20 0.69

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
SCHEMBL25792100 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL20202727 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8188 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29350404 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8003782 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29740660 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29548827 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29351291 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8187 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL27370819 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54044597-A None JP disclosed
CN-117802058-A Formate dehydrogenase mutant and preparation method and application thereof, and preparation method of NADH 金达威生物技术(江苏)有限公司 2024-04-02 CN disclosed
WO-2024058984-A2 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MarvelBiome, Inc. (US) 2024-03-21 WO disclosed
CN-104730129-B A kind of electrochemical method based on ethyl carbamate content in double enzyme modified electrode quick detection solution 江南大学 2017-12-08 CN disclosed
CN-104311589-B To carboxylic acid group's propionamide phenyl silica, its co-immobilization L lactic dehydrogenase multienzyme complexs and preparation method thereof 上海大学 2017-06-23 CN disclosed
CN-106749153-A The specificity fluorescent probe of nitroreductase and its preparation and the application for cancer target fluorescence imaging and monitoring tumor hypoxia degree 华东理工大学 2017-05-31 CN disclosed
WO-2016091121-A1 METHOD FOR PURIFYING REDUCED Β-NICOTINAMIDE ADENINE DINUCLEOTIDE 邦泰生物工程(深圳)有限公司 2016-06-16 WO disclosed
CN-103764657-B The pyrrolo-triazine replacing as the methylol aryl of ALK1 inhibitor BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-25 CN disclosed
EP-2751089-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H Promega Corporation (US) 2014-07-09 EP disclosed
WO-2013033515-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H PROMEGA CORPORATION (US) 2013-03-07 WO disclosed
EP-1204859-A2 METHOD AND APPARATUS FOR THE DELIVERY OF SAMPLES TO A CHEMICAL SENSOR ARRAY THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-05-15 EP disclosed
WO-2001006239-A2 METHOD AND APPARATUS FOR THE DELIVERY OF SAMPLES TO A CHEMICAL SENSOR ARRAY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-01-25 WO disclosed
WO-2001006253-A2 DETECTION SYSTEM BASED ON AN ANALYTE REACTIVE PARTICLE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-01-25 WO disclosed
US-6117661-A HAS DELETION OR SUBSTITUTION OF CYSTEINE AT AMINO ACID POSITION 334; FOR NOVEL BIOCATALYSTS BG PLC (GB) 2000-09-12 US disclosed
EP-0906431-A1 MUTANT MONO-OXYGENASE CYTOCHROME P450cam BG plc (GB) 1999-04-07 EP disclosed
EP-0642526-B1 PRODUCTION OF FUCOSYLATED CARBOHYDRATES BY ENZYMATIC FUCOSYLATION SYNTHESIS OF SUGAR NUCLEOTIDES; AND IN SITU REGENERATION OF GDP-FUCOSE SCRIPPS RESEARCH INST (US) 1998-12-23 EP disclosed
CN-1171818-A mutant monooxygenase cytochrome P-450cam BRITISH GAS PLC (GB) 1998-01-28 CN disclosed
WO-1997016553-A1 MUTANT MONO-OXYGENASE CYTOCHROME P450cam BG PLC (GB) 1997-05-09 WO disclosed
WO-1991005063-A1 HALOPEROXIDASE ACID OPTIMUM CHEMILUMINESCENCE ASSAY SYSTEM EXOXEMIS, INC. (US) 1991-04-18 WO disclosed
JP-S5444597-A MEASURING METHOD OF BILE ACIDS SHIMADZU CORP 1979-04-09 JP disclosed