SCHEMBL13768422

SCHEMBL13768422

CCOC(=O)c1csc2c1COCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
PDE4B Q07343 1/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4009963 0.89 MAPT (0.46) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL5260554 0.80 MAPT (0.62) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL1379362 0.80 MAPT (0.65) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL1425934 0.79 ADORA1 (0.50) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL23833453 0.78 MAPT (0.66) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL13768804 0.77 HPGD (0.39) MAPTL3MBTL1HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL31699313 0.77 ADORA1 (0.50) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL13768306 0.76 L3MBTL1 (0.43) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL6318336 0.75 ADORA1 (0.59) MAPTTDP1TP53L3MBTL1HPGD
SCHEMBL17321000 0.74 L3MBTL1 (0.65) MAPTTDP1TP53L3MBTL1HPGD

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
CN-114222574-B Inhibition of USP36 瓦洛健康股份有限公司 2024-12-17 CN disclosed
CN-114222574-A Inhibition of USP36 瓦洛健康股份有限公司 2022-03-22 CN disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed