SCHEMBL9834671

SCHEMBL9834671

COC(=O)C1=Cc2cc(C(c3ccccc3)n3ccnc3)sc2CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.80
CYP19A1 P11511 6/20 0.43
CYP26A1 O43174 7/20 0.40
CYP17A1 P05093 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
TP53 P04637 1/20 0.39
PGR P06401 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL9836166 0.89 TBXAS1 (1.00) TBXAS1CYP19A1CYP26A1CYP17A1MEN1
Water SCHEMBL9836190 0.86 TBXAS1 (0.82) TBXAS1CYP19A1CYP26A1CYP17A1MEN1
SCHEMBL9836059 0.85 TBXAS1 (0.58) TBXAS1CYP19A1CYP26A1CYP17A1MEN1
SCHEMBL9836582 0.83 TBXAS1 (0.74) TBXAS1CYP19A1CYP26A1CYP17A1MEN1
SCHEMBL9836635 0.82 TBXAS1 (0.53) TBXAS1CYP26A1CYP17A1CYP3A4KMT2A
SCHEMBL9835771 0.79 TBXAS1 (0.50) TBXAS1CYP19A1CYP17A1OPRK1KMT2A
SCHEMBL9835661 0.75 TBXAS1 (0.46) TBXAS1CYP19A1CYP17A1MEN1USP2
SCHEMBL9835146 0.73 TBXAS1 (0.71) TBXAS1CYP19A1CYP26A1CYP17A1MEN1
SCHEMBL27264305 0.73 TBXAS1 (0.71) TBXAS1CYP19A1CYP17A1
SCHEMBL9835676 0.73 TBXAS1 (0.76) TBXAS1CYP19A1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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