SCHEMBL28353258

SCHEMBL28353258

COc1ccc(C#Cc2ccccc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
FFAR1 O14842 2/20 0.56
KCNH2 Q12809 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GRM5 P41594 1/20 0.46
SLC16A3 O15427 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CA4 P22748 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL28308740 0.88 APP (0.61) APPFFAR1KCNH2POLBGAA
SCHEMBL8083186 0.87 FFAR1 (0.57) APPFFAR1KCNH2L3MBTL1MEN1
SCHEMBL2774016 0.86 FFAR1 (0.60) APPFFAR1KCNH2L3MBTL1MEN1
SCHEMBL28539227 0.86 GAA (0.61) APPFFAR1KCNH2POLBGAA
SCHEMBL28353255 0.85 FFAR1 (0.56) APPFFAR1KCNH2GAAL3MBTL1
SCHEMBL28352734 0.85 FFAR1 (0.56) APPFFAR1KCNH2L3MBTL1MEN1
SCHEMBL30022461 0.84 CA1 (0.60) APPFFAR1POLBGAAL3MBTL1
SCHEMBL4214499 0.84 CA1 (0.60) APPFFAR1POLBGAAL3MBTL1
SCHEMBL28545613 0.84 APP (0.49) APPFFAR1KCNH2POLBGAA
SCHEMBL28356528 0.84 FFAR1 (0.55) APPFFAR1KCNH2L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110760877-B Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2021-01-29 CN claimed
CN-110760877-A Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2020-02-07 CN claimed
CN-110760877-B Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2021-01-29 CN disclosed
CN-110760877-A Method for continuously preparing 2-aryl-3-halogenated-benzofuran compound by using electrochemical microchannel reaction device 南京工业大学 2020-02-07 CN disclosed