SCHEMBL28355385

SCHEMBL28355385

CSc1ccccc1C#Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
FFAR1 O14842 4/20 0.39
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACHE P22303 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34

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
SCHEMBL28509992 0.88 GRM5 (0.49) GRM5FFAR1CA12CA2CA9
SCHEMBL28355913 0.82 NPC1 (0.50) GRM5CA12CA2CA9KDM4E
SCHEMBL28906615 0.82 GRM5 (0.41) GRM5CA12CA2CA9KDM4E
SCHEMBL28528729 0.82 GRM5 (0.49) GRM5KDM4EMEN1NPC1ALDH1A1
SCHEMBL28357654 0.82 CA12 (0.52) GRM5CA12CA2CA9CA1
SCHEMBL28501966 0.81 CA12 (0.50) GRM5FFAR1CA12CA2CA9
SCHEMBL14998080 0.80 ALDH1A1 (0.35) GRM5KDM4EMEN1NPC1ALDH1A1
SCHEMBL29700306 0.80 ALDH1A1 (0.35) GRM5KDM4EMEN1NPC1ALDH1A1
SCHEMBL4562089 0.78 GRM5 (0.69) GRM5FFAR1CA12CA2CA9
SCHEMBL30469478 0.78 GRM5 (0.69) GRM5FFAR1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791775-B Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2021-02-05 CN claimed
CN-110791775-A Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2020-02-14 CN claimed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN claimed
CN-110791775-B Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2021-02-05 CN disclosed
CN-110656346-B Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2021-02-02 CN disclosed
CN-110791775-A Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2020-02-14 CN disclosed
CN-110656346-A Method for continuously preparing 2-aryl-3-halogenated-benzothiophene compound by using electrochemical microchannel reaction device 南京工业大学 2020-01-07 CN disclosed