Benzothiophene

Benzothiophene

SCHEMBL28337252

[c]1ccccc1.c1ccc2sccc2c1

nearest known ligand 0.71

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
CA12 O43570 3/20 0.33
CYP2A6 P11509 2/20 0.33
CA9 Q16790 2/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR3 P46089 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
DYRK1A Q13627 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
Benzothiophene SCHEMBL27791811 0.87 CA12 (0.41) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL20473352 0.87 CA12 (0.41) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL15227137 0.87 CTNNB1 (0.43) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL28758675 0.84 CTNNB1 (0.46) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL4378682 0.84 CTNNB1 (0.46) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL29383883 0.84
Benzothiophene SCHEMBL7023 0.84
Benzothiophene SCHEMBL451494 0.84
Benzothiophene SCHEMBL28545602 0.84 CA12 (0.42) CTNNB1WNT3ACA12CYP2A6CA9
Benzothiophene SCHEMBL253491 0.84 CA12 (0.42) CTNNB1WNT3ACA12CYP2A6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110506042-A Organic light emitting apparatus and constituent for the organic material layer in organic light emitting apparatus HEESUNG MAT LTD 2019-11-26 CN disclosed