SCHEMBL9836890

SCHEMBL9836890

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 1.00

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
SCHEMBL9837324 0.88 TBXAS1 (1.00) TBXAS1
SCHEMBL9835676 0.86 TBXAS1 (0.76) TBXAS1
SCHEMBL9834048 0.83 TBXAS1 (0.71) TBXAS1
Imitrodast SCHEMBL166460 0.81 TBXAS1 (1.00) TBXAS1
Imitrodast SCHEMBL99497 0.80 TBXAS1 (0.98) TBXAS1
SCHEMBL9835492 0.77 TBXAS1 (0.80) TBXAS1
SCHEMBL9835519 0.76 TBXAS1 (0.77) TBXAS1
SCHEMBL9836019 0.72 TBXAS1 (0.72) TBXAS1
SCHEMBL9836166 0.71 TBXAS1 (1.00) TBXAS1
Imitrodast SCHEMBL8156405 0.71 TBXAS1 (0.81) 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 3 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 claimed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US claimed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP claimed