SCHEMBL8705118

SCHEMBL8705118

CC(=S)Nc1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.65
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 2/20 0.65
THRB P10828 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TAS2R38 P59533 1/20 0.62
KMT2A Q03164 3/20 0.60
CYP1A1 P04798 2/20 0.60
MEN1 O00255 2/20 0.60
CA12 O43570 1/20 0.60
BRD4 O60885 1/20 0.60
NR1I2 O75469 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
MB P02144 1/20 0.60
CA3 P07451 1/20 0.60
CYP3A4 P08684 1/20 0.60
RARG P13631 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL14511451 0.89 TAS2R38 (0.75) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL14872243 0.80 TAS2R38 (0.62) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL1822006 0.80 ALDH1A1 (0.65) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL863133 0.80 TAS2R38 (0.62) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL11738124 0.78 MEN1 (0.62) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL14872162 0.78 TAS2R38 (0.60) GAAMAPTALDH1A1L3MBTL1TAS2R38
SCHEMBL10189868 0.78 EPHX1 (0.60) GAAMAPTALDH1A1KDM4ETAS2R38
SCHEMBL11718858 0.78 SMN1; SMN2 (0.67) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL21985779 0.78 TAS2R38 (0.60) GAAMAPTALDH1A1KDM4ETHRB
SCHEMBL28294619 0.78 TAS2R38 (0.60) GAAMAPTALDH1A1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288015-A1 M6PR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. (US) 2023-01-19 WO disclosed
CN-1252717-A Intermediate and method for preparing benzo [ b ] thiophene LILLY CO ELI (US) 2000-05-10 CN disclosed
WO-1998048787-A1 INTERMEDIATES AND A PROCESS FOR PREPARING BENZO[b]THIOPHENES ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed