SCHEMBL9740964

SCHEMBL9740964

[c]1cc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
DYRK3 O43781 1/20 0.52
CLK1 P49759 1/20 0.52
CLK2 P49760 1/20 0.52
CLK3 P49761 1/20 0.52
GSK3B P49841 1/20 0.52
CDK5 Q00535 1/20 0.52
DYRK1A Q13627 1/20 0.52
CDK5R1 Q15078 1/20 0.52
DYRK2 Q92630 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
FGFR1 P11362 1/20 0.43
JAK2 O60674 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 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
SCHEMBL9739814 0.86 FGFR1 (0.50) NPC1DYRK3CLK1CLK2CLK3
SCHEMBL11905567 0.76 TRPA1 (0.58) BACE1PGRTNKS2
SCHEMBL9739044 0.75 APEX1 (0.44) NPC1
SCHEMBL4858667 0.73 MAPT (0.50) NPC1KDM4EMEN1GAAMAPT
SCHEMBL1188 0.72
SCHEMBL16107069 0.71 ESR1 (0.73) NPC1DYRK3CLK1CLK2CLK3
SCHEMBL30304006 0.71 ESR1 (0.73) NPC1DYRK3CLK1CLK2CLK3
SCHEMBL446619 0.71 NPC1 (1.00) NPC1DYRK3CLK1CLK2CLK3
SCHEMBL30587350 0.71 NPC1 (1.00) NPC1DYRK3CLK1CLK2CLK3
SCHEMBL9740027 0.71 CALM1 (0.44) MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 US claimed
US-11976382-B2 Nucleic acid based biosensor and methods thereof BOISE STATE UNIVERSITY (US) 2024-05-07 US disclosed
US-20240034883-A1 RIGID LINKERS TO PROMOTE J-PACKING AND ENHANCE Kr U.S. DEPARTMENT OF ENERGY 2024-02-01 US disclosed
US-20240018526-A1 DEOXYRIBONUCLEIC ACID-BASED BIOSENSOR AND ASSOCIATED METHODS FACIBLE BIODIAGNOSTICS LLC (US) 2024-01-18 US disclosed
US-20230331990-A1 DYES IN DYE AGGREGATE SYSTEMS - ENGINEERING J, K, AND DYE PACKING UNITED STATES DEPARTMENT OF ENERGY 2023-10-19 US disclosed
US-11787947-B2 Dyes in dye aggregate systems—engineering J, K, and dye packing BOISE STATE UNIVERSITY (US) 2023-10-17 US disclosed
US-20230304075-A1 NUCLEIC ACID-BASED BIOSENSOR AND ASSOCIATED METHODS FACIBLE BIODIAGNOSTICS LLC 2023-09-28 US disclosed
US-20230147320-A1 EXCITONIC QUANTUM COMPUTING VIA AGGREGATE-AGGREGATE COUPLING BOISE STATE UNIVERSITY 2023-05-11 US disclosed
US-20230054578-A1 MOLECULAR AGGREGATE FOR OPTICALLY-PUMPED NONRECIPROCAL EXCITON DEVICES BOISE STATE UNIVERSITY 2023-02-23 US disclosed
US-11385235-B2 DNA ink—near-field absorption coupling for colorimetric detection, DNA ink, chromic photoswitches, and chromic molecular ruler BOISE STATE UNIVERSITY (US) 2022-07-12 US disclosed
US-20200224035-A1 DYES IN DYE AGGREGATE SYSTEMS - ENGINEERING J, K, JCT, CONICAL INTERSECTIONS AND EXCITON LIFETIMES UNITED STATES DEPARTMENT OF ENERGY 2020-07-16 US disclosed
US-20190101543-A1 DNA INK - NEAR-FIELD ABSORPTION COUPLING FOR COLORIMETRIC DETECTION, DNA INK, CHROMIC PHOTOSWITCHES, AND CHROMIC MOLECULAR RULER NATIONAL SCIENCE FOUNDATION 2019-04-04 US disclosed
US-20190048036-A1 EXCITONIC QUANTUM COMPUTING MEDIATED BY CHROMOPHORE-EMBEDDED 1-, 2-, AND 3-DIMENSIONAL DNA SCAFFOLDS BOISE STATE UNIVERSITY 2019-02-14 US disclosed
US-20180051316-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-02-22 US disclosed
EP-3234178-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE The Regents of The University of California (US) 2017-10-25 EP disclosed
WO-2016100637-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-23 WO disclosed
WO-2016100635-A1 DETECTION OF NUCLEIC ACID POLYMERASE CONFORMATIONAL CHANGES USING A NANOTUBE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-23 WO disclosed
US-8981078-B2 Selective inhibitors of translesion DNA replication CASE WESTERN RESERVE UNIVERSITY (US) 2015-03-17 US disclosed
US-20130004945-A1 SELECTIVE INHIBITORS OF TRANSLESION DNA REPLICATION BERDIS ANTHONY J (US) 2013-01-03 US disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed