SCHEMBL9836019

SCHEMBL9836019

O=C(O)OC1=Cc2cc(CCn3ccnc3)sc2CC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.72
EGLN3 Q9H6Z9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALPG P10696 2/20 0.36
ALPI P09923 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLAA Q9Y263 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9834048 0.89 TBXAS1 (0.71) TBXAS1ALPGALPITDP1PLAA
SCHEMBL9837324 0.84 TBXAS1 (1.00) TBXAS1EGLN3ALDH1A1GAAALPG
SCHEMBL9837516 0.83 TBXAS1 (0.59) TBXAS1EGLN3ALDH1A1GAA
SCHEMBL9835519 0.80 TBXAS1 (0.77) TBXAS1ALDH1A1GAAALPGALPI
SCHEMBL9835492 0.80 TBXAS1 (0.80) TBXAS1EGLN3ALDH1A1GAAALPG
SCHEMBL9836890 0.72 TBXAS1 (1.00) TBXAS1
SCHEMBL9836523 0.72 TBXAS1 (0.74) TBXAS1
SCHEMBL9837494 0.71 TBXAS1 (0.73) TBXAS1EGLN3ALDH1A1GAA
SCHEMBL9836582 0.69 TBXAS1 (0.74) TBXAS1ALDH1A1TDP1
SCHEMBL9837013 0.69 TBXAS1 (1.00) TBXAS1EGLN3ALDH1A1GAA

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