SCHEMBL28513829

SCHEMBL28513829

CSc1ccccc1C#Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
KCNH2 Q12809 1/20 0.50
PTGDR2 Q9Y5Y4 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL29700306 0.87 ALDH1A1 (0.35) GRM5KCNH2MAPTMEN1KMT2A
SCHEMBL14998080 0.87 ALDH1A1 (0.35) GRM5KCNH2MAPTMEN1KMT2A
SCHEMBL4448140 0.80 KCNH2 (0.61) GRM5KCNH2PTGDR2ALDH1A1FFAR1
SCHEMBL30707788 0.80 KCNH2 (0.61) GRM5KCNH2PTGDR2ALDH1A1FFAR1
SCHEMBL28355756 0.79 GRM5 (0.44) GRM5KCNH2PTGDR2MAPTMEN1
SCHEMBL28355913 0.78 NPC1 (0.50) GRM5KCNH2MAPTMEN1KMT2A
SCHEMBL14997693 0.78 TSHR (0.45) GRM5MAPTALDH1A1FFAR1LMNA
SCHEMBL28519334 0.76 GRM5 (0.44) GRM5PTGDR2MAPTMEN1KMT2A
SCHEMBL27165258 0.76 FFAR1 (0.37) SMN1; SMN2ALDH1A1FFAR1KDM4ELMNA
SCHEMBL27165230 0.76 IDO1 (0.33) KMT2ASMN1; SMN2ALDH1A1NPSR1

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-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 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-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-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