SCHEMBL9835676

SCHEMBL9835676

COC(=O)C1=Cc2cc(Cn3ccnc3)sc2CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.76
KDM4E B2RXH2 1/20 0.36
AHR P35869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLAA Q9Y263 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL9835519 0.89 TBXAS1 (0.77) TBXAS1KDM4EAHRNPSR1ALPI
SCHEMBL9836890 0.86 TBXAS1 (1.00) TBXAS1
SCHEMBL9836779 0.83 TBXAS1 (0.76) TBXAS1KDM4EAHRNPSR1CYP19A1
SCHEMBL9834048 0.79 TBXAS1 (0.71) TBXAS1ALPIALPGTDP1PLAA
SCHEMBL9836524 0.78 TBXAS1 (0.43) TBXAS1KDM4ETDP1L3MBTL1
SCHEMBL9834618 0.78 TBXAS1 (0.52) TBXAS1KDM4EAHRNPSR1CYP19A1
SCHEMBL9835986 0.76 TBXAS1 (0.46) TBXAS1KDM4E
SCHEMBL9837324 0.76 TBXAS1 (1.00) TBXAS1ALPIALPGTDP1PLAA
SCHEMBL9834823 0.74 TBXAS1 (0.40) TBXAS1KDM4ENPSR1TDP1L3MBTL1
SCHEMBL9835492 0.74 TBXAS1 (0.80) TBXAS1ALPIALPGTDP1PLAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62067082-A None JP disclosed
CN-1023013-C Process for preparing thianaphthene derivatives SANKYO CO (JP) 1993-12-08 CN disclosed
EP-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
CN-87102672-A Thioindol derivatives, process for their preparation and their use 1987-11-04 CN disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed
JP-S6267082-A THIANAPHTHENE DERIVATIVE AND PRODUCTION THEREOF SANKYO CO LTD 1987-03-26 JP disclosed