SCHEMBL9835771

SCHEMBL9835771

COC(=O)C1=Cc2cc(C(C3CCCCC3)n3ccnc3)sc2CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.50
CYP17A1 P05093 2/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP19A1 P11511 1/20 0.33
KMT2A Q03164 1/20 0.32
TBXA2R P21731 5/20 0.31
OPRK1 P41145 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
SCHEMBL9835558 0.89 TBXAS1 (0.63) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9836635 0.81 TBXAS1 (0.53) TBXAS1CYP17A1KMT2A
SCHEMBL9836560 0.79 DHODH (0.34) TBXAS1
SCHEMBL9834671 0.79 TBXAS1 (0.80) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9837046 0.77 TBXAS1 (0.43) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL27690673 0.75 ALDH1A1 (0.41) TBXAS1CYP17A1CYP11B1CYP11B2KMT2A
SCHEMBL9836161 0.71 TBXAS1 (0.54) TBXAS1CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL9835676 0.70 TBXAS1 (0.76) TBXAS1CYP19A1
SCHEMBL9836789 0.69 TBXAS1 (0.67) TBXAS1CYP17A1
SCHEMBL9835519 0.69 TBXAS1 (0.77) TBXAS1

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