SCHEMBL1246271

SCHEMBL1246271

Brc1ccc(C#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
APP P05067 3/20 0.47
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
ACACB O00763 1/20 0.41
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36

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
SCHEMBL20015760 1.00 CYP2A6 (0.57) CYP2A6APPMAOBMAOAALDH1A1
SCHEMBL5401236 0.88 APP (0.67) CYP2A6APPALDH1A1MAPK1MAPT
SCHEMBL651586 0.88 APP (0.67) CYP2A6APPALDH1A1MAPK1MAPT
SCHEMBL5012561 0.87 CYP2A6 (0.50) CYP2A6APPMAOBMAOAALDH1A1
SCHEMBL24200553 0.86 CYP2A6 (0.42) CYP2A6APPMAOBMAOAALDH1A1
SCHEMBL8623669 0.86 SMN1; SMN2 (0.43) CYP2A6APPMAOBMAOAMAPK1
SCHEMBL8621608 0.86 MAOB (0.64) CYP2A6MAOBMAOAALDH1A1CA2
SCHEMBL4461464 0.86 KCNH2 (0.47) CYP2A6APPMAOBMAOAACACB
SCHEMBL13429990 0.86 CYP2A6 (0.42) CYP2A6APPMAOBMAOAALDH1A1
SCHEMBL10035462 0.86 ALDH1A1 (0.68) CYP2A6APPALDH1A1ACACBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283962-A Method for synthesizing imidazo [5,1-a ] isoquinoline derivatives through C-H activation/cyclization reaction 桂林理工大学 2023-06-23 CN claimed
CN-111978345-B Fluorescent sensing film and preparation method and application thereof 陕西师范大学 2022-11-01 CN claimed
CN-112209955-A Carborane violet essence derivative, metal supermolecule polymer thereof, synthetic method and application 西安交通大学 2021-01-12 CN claimed
CN-122036766-A Internal alkynyl ortho-carborane diamine and preparation method and application thereof 中国核动力研究设计院 2026-05-15 CN disclosed
US-12466995-B2 Soluble graphene quantum dots and light-emitting device using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2025-11-11 US disclosed
CN-116410126-B Ligand, ruthenium complex, preparation method thereof and application of ligand and ruthenium complex in catalyzing alkyne semi-hydrogenation reaction 河北师范大学 2025-05-09 CN disclosed
CN-119613746-A Directably modified hexabenzo-metal organic framework, and preparation method and application thereof 南开大学 2025-03-14 CN disclosed
CN-117924191-A Polysubstituted olefin derivative and preparation method and application thereof 杭州师范大学 2024-04-26 CN disclosed
CN-117886829-A Pyridoisocoumarin compound and preparation method and application thereof 河北中烟工业有限责任公司 2024-04-16 CN disclosed
CN-114907231-B Indene chiral spiro fluorescent compound, and preparation method and application thereof 杭州师范大学 2024-02-23 CN disclosed
CN-114957301-B Fluorescent nano film based on calix [4] arene, controllable preparation method thereof and application of fluorescent nano film to sensing of gas-phase chlorine dioxide 陕西师范大学 2024-01-19 CN disclosed
US-20100051918-A1 ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM LIGHT-EMITTING TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
US-7615300-B2 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology The Board of Regents University and Community College System of Nevada on Behalf of the University of Nevada (US) 2009-11-10 US disclosed
US-20090069484-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-12 US disclosed
US-20090069484-A1 AROMATIC ETHER AND ALKYNYL CONTAINING PHTHALONITRILES THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2009-03-12 US disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 WO disclosed
WO-2008048227-A2 SYNTHETIC CARBON NANOTUBES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-04-24 WO disclosed
US-20070048579-A1 Development of novel proton-conductive polymers for proton exchange membrane fuel cell (PEMFC) technology Board of Regents University and Community College System of Nevada 2007-03-01 US disclosed
US-5876830-A Method of assembly of molecular-sized nets and scaffolding BOARD OF REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-03-02 US disclosed
US-5626792-A DIPHENYLACETYLENE ESTERS, THIOESTERS OR DITHIOESTERS DISPLAYTECH, INC. (US) 1997-05-06 US disclosed