SCHEMBL686830

SCHEMBL686830

Clc1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MGLL Q99685 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP2A6 P11509 2/20 0.48
FLT3 P36888 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
HPGD P15428 2/20 0.47
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDK9 P50750 1/20 0.46
DYRK1A Q13627 1/20 0.46
CA2 P00918 2/20 0.45
MAOB P27338 4/20 0.44
RAB9A P51151 2/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL31154576 1.00 KDM4E (0.54) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL6152215 0.79 MAOB (0.43) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL6152213 0.79 HDAC3 (0.41) KDM4ETDP1MGLLHSD17B10CYP2A6
Ethoxycarbonyl Group SCHEMBL28518665 0.78 CYP2A6 (0.44) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL103158 0.74 MAOB (0.63) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL30036439 0.74 MAOB (0.63) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL3082095 0.73 MAOB (0.63) KDM4EHSD17B10HPGDTYRDAO
SCHEMBL2149843 0.73 MAOB (0.61) KDM4ETDP1HSD17B10HPGDPOLB
SCHEMBL29256707 0.71 KDM4E (0.45) KDM4ETDP1MGLLHSD17B10CYP2A6
SCHEMBL11613110 0.70 MAOB (0.68) KDM4EHPGDSMN1; SMN2CA2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11014596-A None JP disclosed
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed
CN-117304196-A Spiro [ benzofuran-tetrahydropyrrole ] compound, preparation method and application thereof 三峡大学 2023-12-29 CN disclosed
CN-110914395-B Method for preparing hydrogenated fat composition 邦吉洛德斯克罗科兰有限公司 2023-07-07 CN disclosed
CN-116333001-A Organometallic compound and organic light emitting diode including the same 乐金显示有限公司 2023-06-27 CN disclosed
CN-111171047-B Fused dihydro-4H-pyrazolo [5,1-C ] [1,4] oxazinyl compounds for the treatment of CNS disorders 赛诺维信制药公司 2023-06-23 CN disclosed
CN-116283868-A Synthesis method of spiro [ benzofuran-cyclohexene ] compound 三峡大学 2023-06-23 CN disclosed
CN-115121216-B Water humidifying dechlorinating agent and preparation method and application thereof 大唐环境产业集团股份有限公司 2023-01-24 CN disclosed
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 CN disclosed
WO-2022213932-A1 PYRROLOPYRIMIDINONE COMPOUND AND APPLICATION THEREOF 广州必贝特医药股份有限公司 2022-10-13 WO disclosed
EP-0645172-A1 Method and catalyst for treating exhaust gases containing dioxines N.E. CHEMCAT CORPORATION (JP) 1995-03-29 EP disclosed
CN-1021330-C Herbicide containing triazine derivative as active ingredient IDEMITSU KOSAN CO (JP) 1993-06-23 CN disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed
US-4839042-A POLYOXYALKYLENE GLYCOL AND ALKALI(EARTH) METAL ALCOHOLATE SEA MARCONI TECHNOLOGIES S.P.A. (IT) 1989-06-13 US disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
EP-0135043-B1 A CONTINUOUS DECONTAMINATION-DECOMPOSITION PROCESS FOR TREATING HALOGENATED ORGANIC COMPOUNDS AND TOXID SUBSTANCES SEA MARCONI TECHNOLOGIES S.p.a. (IT) 1987-09-30 EP disclosed
CN-86106040-A Triazine derivatives, process for producing the same and herbicides containing the same as active ingredient 1987-05-20 CN disclosed
EP-0135043-A1 A continuous decontamination-decomposition process for treating halogenated organic compounds and toxid substances SEA MARCONI TECHNOLOGIES S.p.a. (IT) 1985-03-27 EP disclosed
US-4120937-A Process for the production of halosilicon acids and organic silicon acid compounds and resinous products BLOUNT DAVID H 1978-10-17 US disclosed
US-4008266-A Coupling of aromatic compounds in the presence of molecular oxygen, a mercuric oxyanion compound, and a group VIII metal or group VIII metal oxyanion compound MONSANTO COMPANY (US) 1977-02-15 US disclosed