Benzothiophene

Benzothiophene

SCHEMBL4378682

OO.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1

nearest known ligand 0.90

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
CA12 O43570 4/20 0.39
CA9 Q16790 3/20 0.39
PTPRC P08575 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CYP2A6 P11509 4/20 0.39
BCL2L1 Q07817 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR3 P46089 1/20 0.38
CA2 P00918 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MGLL Q99685 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35

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 SCHEMBL28758675 1.00 CTNNB1 (0.46) CTNNB1WNT3ACA12CA9PTPRC
Benzothiophene SCHEMBL15227137 0.97 CTNNB1 (0.43) CTNNB1WNT3ACA12CA9PTPRC
Benzothiophene SCHEMBL29383883 0.95
Benzothiophene SCHEMBL28399890 0.95 CA12 (0.42) CTNNB1WNT3ACA12CA9PTPRC
Benzothiophene SCHEMBL29415494 0.95
Benzothiophene SCHEMBL28545602 0.95 CA12 (0.42) CTNNB1WNT3ACA12CA9PTPRC
Benzothiophene SCHEMBL253491 0.95 CA12 (0.42) CTNNB1WNT3ACA12CA9PTPRC
Benzothiophene SCHEMBL7023 0.95
Benzothiophene SCHEMBL451494 0.95
Benzothiophene SCHEMBL27873783 0.95 CA12 (0.42) CTNNB1WNT3ACA12CA9PTPRC

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
US-20090299100-A1 Fossil Fuel Desulfurization UNIVERSITY OF MIAMI (US) 2009-12-03 US disclosed