SCHEMBL8357944

SCHEMBL8357944

CC(C)Cc1nc2ccc(O)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ DYRK1A Q13627 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ APP P05067 7/20 0.44
▸ SULT1A1 P50225 3/20 0.44
▸ HSD17B1 P14061 3/20 0.44
▸ HSD17B2 P37059 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 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
SCHEMBL20049378 0.83 RAB9A (0.54) GAAL3MBTL1DYRK1AAPPMAPT
SCHEMBL12870512 0.82 RAB9A (0.45) GAAAPPMAPTKDM4ELMNA
SCHEMBL11293396 0.81 GAA (0.63) HTTGAAL3MBTL1DYRK1ACA12
SCHEMBL8357951 0.78 CYP1A2 (0.56) HTTGAADYRK1AAPPMAPT
SCHEMBL3248623 0.78 HTT (0.61) HTTGAAL3MBTL1DYRK1ACA12
SCHEMBL20965424 0.77 EPHX2 (0.55) DYRK1A
SCHEMBL29690526 0.76 RAB9A (0.50) GAAL3MBTL1DYRK1AAPPMAPT
SCHEMBL21815179 0.76 MAOB (0.52) HTTGAAL3MBTL1DYRK1ACA12
SCHEMBL2662248 0.76 UBE2T (0.59) HTTGAAL3MBTL1MAPTKDM4E
SCHEMBL8355908 0.75 MAOB (0.54) HTTGAAL3MBTL1DYRK1ACA12

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
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 — — US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 — — EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 — — WO disclosed
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