SCHEMBL8615700

SCHEMBL8615700

OC(Cc1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYSLTR1 Q9Y271 5/20 0.47
CYSLTR2 Q9NS75 4/20 0.47
MAPK1 P28482 2/20 0.45
GPBAR1 Q8TDU6 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
ALOX5 P09917 1/20 0.45
HPGD P15428 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL28493489 0.87 CYP1A2 (0.43) CYP1A2CYSLTR1CYSLTR2MAPK1GPBAR1
SCHEMBL28486487 0.87 CYP1A2 (0.43) CYP1A2CYSLTR1CYSLTR2MAPK1GPBAR1
SCHEMBL31570744 0.84 CYSLTR2 (0.51) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL31570746 0.84 CYSLTR2 (0.51) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL28485493 0.84 ALDH1A1 (0.49) CYP1A2CYSLTR1CYSLTR2MAPK1GPBAR1
SCHEMBL22964605 0.82 CYSLTR2 (0.50) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA
SCHEMBL28483931 0.81 ALDH1A1 (0.49) CYP1A2MAPK1ALDH1A1MEN1RECQL
SCHEMBL29153439 0.80 PNMT (0.56) CYP1A2CYSLTR1CYSLTR2MAPK1GPBAR1
SCHEMBL19407459 0.79 GRIN2D (0.53) CYP1A2CYSLTR1CYSLTR2GPBAR1
SCHEMBL4847350 0.79 CYSLTR2 (0.47) CYP1A2CYSLTR1CYSLTR2GPBAR1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978480-A Through C (sp)3) Green synthesis method for synthesizing quinoline derivative by synthesizing H bond functional group 东南大学成贤学院 2024-11-19 CN disclosed
CN-109824585-B Method for preparing 1-aryl-2-quinolyl ethanol compound under catalysis of acidic ionic liquid 马鞍山市泰博化工科技有限公司 2020-08-14 CN disclosed
EP-0606380-B1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES ORSTOM (FR) 1998-11-25 EP disclosed
US-5541196-A ANTIPROTOZOA AGENTS INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPMENT EN COOPERATION (ORSTOM) (FR) 1996-07-30 US disclosed
EP-0606380-A1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES INSTITUT FRANCAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPEMENT EN COOPERATION (ORSTOM) (FR) 1994-07-20 EP disclosed
WO-1993007125-A1 2-SUBSTITUTED QUINOLINES FOR TREATING LEISHMANIOSES INSTITUT FRANÇAIS DE RECHERCHE SCIENTIFIQUE POUR LE DEVELOPPEMENT EN COOPERATION (ORSTOM) (FR) 1993-04-15 WO disclosed