SCHEMBL9835233

SCHEMBL9835233

COC(=O)C1=Cc2sc(C=Cn3ccnc3)cc2CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.43
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL9837503 0.86 TBXAS1 (0.46) TBXAS1PDE3BPDE3A
SCHEMBL9835838 0.76 KDM4E (0.35) TBXAS1MAPT
SCHEMBL9836779 0.75 TBXAS1 (0.76) TBXAS1
SCHEMBL9835177 0.74 TBXAS1 (0.53) TBXAS1
SCHEMBL9835184 0.74 TBXAS1 (0.61) TBXAS1MAPT
SCHEMBL9836059 0.70 TBXAS1 (0.58) TBXAS1PDE3BPDE3AMAPTCYP11B1
SCHEMBL9869742 0.68 TBXAS1 (0.36) TBXAS1
SCHEMBL10551166 0.68 TBXAS1 (0.36) TBXAS1
SCHEMBL9869737 0.68 TBXAS1 (0.46) TBXAS1
SCHEMBL9835663 0.68 TBXAS1 (0.43) TBXAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed