SCHEMBL9837516

SCHEMBL9837516

O=C(O)OC1=Cc2sc(CCn3ccnc3)cc2CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.59
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9836523 0.89 TBXAS1 (0.74) TBXAS1
SCHEMBL9835155 0.86 TBXAS1 (0.79) TBXAS1EGLN3ALDH1A1GAA
SCHEMBL9836019 0.83 TBXAS1 (0.72) TBXAS1EGLN3ALDH1A1GAA
SCHEMBL9837297 0.83 TBXAS1 (0.64) TBXAS1EGLN3ALDH1A1GAA
SCHEMBL9835184 0.82 TBXAS1 (0.61) TBXAS1ALDH1A1GAA
Imitrodast SCHEMBL166460 0.74 TBXAS1 (1.00) TBXAS1
Imitrodast SCHEMBL99497 0.73 TBXAS1 (0.98) TBXAS1
SCHEMBL9834048 0.72 TBXAS1 (0.71) TBXAS1
Imitrodast SCHEMBL8156405 0.71 TBXAS1 (0.81) TBXAS1ALDH1A1
SCHEMBL9836779 0.71 TBXAS1 (0.76) 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 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 claimed