SCHEMBL9834831

SCHEMBL9834831

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.69
ALDH1A1 P00352 2/20 0.40
ALPG P10696 2/20 0.40
ALPI P09923 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLAA Q9Y263 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 2/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL9835177 0.87 TBXAS1 (0.53) TBXAS1ALDH1A1ALPGALPITDP1
Imitrodast SCHEMBL166460 0.81 TBXAS1 (1.00) TBXAS1
Imitrodast SCHEMBL99497 0.81 TBXAS1 (0.98) TBXAS1
SCHEMBL9835155 0.80 TBXAS1 (0.79) TBXAS1ALDH1A1GAA
Imitrodast SCHEMBL8156405 0.74 TBXAS1 (0.81) TBXAS1ALDH1A1CYP19A1
SCHEMBL9837297 0.72 TBXAS1 (0.64) TBXAS1ALDH1A1CYP19A1GAA
SCHEMBL9835122 0.71 TBXAS1 (0.70) TBXAS1ALDH1A1ALPGALPITDP1
SCHEMBL9837312 0.69 TBXAS1 (0.56) TBXAS1
SCHEMBL9836683 0.69 TBXAS1 (0.52) TBXAS1ALDH1A1TDP1L3MBTL1CYP19A1
SCHEMBL9836779 0.69 TBXAS1 (0.76) TBXAS1CYP19A1

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 1 patent. 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