SCHEMBL13458053

SCHEMBL13458053

C=Cc1nc2ccc(O)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
APP P05067 8/20 0.50
SNCA P37840 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
SULT1A1 P50225 3/20 0.47
DYRK1A Q13627 1/20 0.46
HSD17B1 P14061 4/20 0.45
HSD17B2 P37059 3/20 0.45
AR P10275 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL14190710 0.82 HTT (0.56) HTTGAAL3MBTL1APPSNCA
SCHEMBL31738413 0.82 CA1 (0.57) HTTGAAL3MBTL1APPSNCA
SCHEMBL13458048 0.79 RAB9A (0.56) HTTGAAAPPSNCADYRK1A
SCHEMBL8034150 0.78 SNCA (0.78) HTTGAAL3MBTL1APPSNCA
SCHEMBL12566875 0.76 INSR (0.42) L3MBTL1APPSNCAMAPT
SCHEMBL8355849 0.76 SNCA (0.62) HTTGAAL3MBTL1APPSNCA
SCHEMBL8355851 0.76 SNCA (0.62) HTTGAAL3MBTL1APPSNCA
SCHEMBL17954786 0.76 APP (0.67) HTTGAAL3MBTL1APPSNCA
SCHEMBL2217147 0.75 HTT (0.66) HTTGAAL3MBTL1APPCA12
SCHEMBL12545463 0.75 CYP1A2 (0.59) HTTAPPDYRK1AMAPT

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
WO-2010024463-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2010-03-04 WO disclosed