SCHEMBL498405

SCHEMBL498405

ClCc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
CYSLTR2 Q9NS75 1/20 0.53
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 1/20 0.47
NCF1 P14598 2/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PDE10A Q9Y233 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL29353900 1.00 CYSLTR1 (0.53) CYSLTR1CYSLTR2CYP1A2KMT2ANCF1
Hydrochloric Acid SCHEMBL189899 0.98 CYSLTR1 (0.52) CYSLTR1CYSLTR2CYP1A2KMT2ANCF1
Bromide SCHEMBL19281783 0.98 CYSLTR1 (0.52) CYSLTR1CYSLTR2CYP1A2KMT2ANCF1
Hydrochloric Acid SCHEMBL29427168 0.98 CYSLTR1 (0.52) CYSLTR1CYSLTR2CYP1A2KMT2ANCF1
Hydrochloric Acid SCHEMBL17395656 0.96 CYSLTR1 (0.50) CYSLTR1CYSLTR2CYP1A2KMT2ANCF1
SCHEMBL4846265 0.83 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
Trifluoromethanesulfonic Acid SCHEMBL21332472 0.82 CYSLTR1 (0.44) CYSLTR1CYSLTR2CYP1A2GPBAR1
SCHEMBL2913941 0.81 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL30879956 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2
SCHEMBL3267444 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2NCF1NOS2

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 1107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956436-B Light-colored diphenylmethane diisocyanate composition with stable color number in storage process 万华化学(宁波)有限公司 2023-05-30 CN claimed
CN-113185458-B Preparation method and application of trimeric indenyl conjugated 8-benzyloxy quinoline derivative 南京林业大学 2022-12-23 CN claimed
CN-113956436-A Light-colored diphenylmethane diisocyanate composition with stable color number in storage process 万华化学(宁波)有限公司 2022-01-21 CN claimed
CN-108409651-B Method for preparing 8-hydroxy-2-methylquinoline by using waste residue of chloroquinate 北京金城泰尔制药有限公司沧州分公司 2021-03-02 CN claimed
CN-109384766-B Quinoline compound and preparation method and application thereof 广东环境保护工程职业学院 2021-02-09 CN claimed
CN-109627232-B Quinoline compound and preparation method and application thereof 广东环境保护工程职业学院 2021-02-09 CN claimed
CN-110845407-A Preparation method of chloroquinate crystal 北京金城泰尔制药有限公司 2020-02-28 CN claimed
CN-102015107-B Picolylaminharze LANXESS DEUTSCHLAND GMBH (DE) 2014-10-15 CN claimed
CN-102796042-A Method for catalytically oxidizing quinclorac JIANGSU LULILAI CO LTD 2012-11-28 CN claimed
CN-101200477-A Compound for preparing organic electromechanical phosphorescent material and preparation method thereof SHANGHAI TUOYIN DIGITAL TECHNO (CN) 2008-06-18 CN claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
US-5066806-A Novel separation process RUTGERSWERKE AG (DE) 1991-11-19 US claimed
EP-0229660-B1 NITROGEN-CONTAINING ARYL METHOXYTHIOPHENE DERIVATIVES AND ACID ADDITION SALTS THEREOF, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CL PHARMA AKTIENGESELLSCHAFT (AT) 1990-09-26 EP claimed
EP-0229660-A2 Nitrogen-containing aryl methoxythiophene derivatives and acid addition salts thereof, process for their preparation and pharmaceutical compositions containing them CL PHARMA AKTIENGESELLSCHAFT (AT) 1987-07-22 EP claimed
EP-0181568-A2 Anti-inflammatory/anti-allergic compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-05-21 EP claimed
EP-0113432-A1 Chloromethyl quinoline derivatives, process for their preparation and their use ALKALOIDA VEGYéSZETI GYáR (HU) 1984-07-18 EP claimed
JP-6199800-A None JP disclosed
US-3948892-A 2-Alkoxy(and 2-amino)-3-amino-2-heterocyclic-thiopropanamides SMITHKLINE CORPORATION (US) 1976-04-06 US disclosed