SCHEMBL13713684

SCHEMBL13713684

CC(=O)Nc1sc(CC(C)(C)C)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC22A12 Q96S37 3/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL8351467 0.84 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL12963490 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL12933352 0.74 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL4088527 0.74 GAA (0.43) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL14424854 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL14425114 0.69 LMNA (0.46) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL4093729 0.68 CHEK1 (0.44) ALDH1A1MEN1KMT2AGAAPIK3CD
SCHEMBL6244966 0.68 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL10272924 0.67 MAPT (0.58) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL2733616 0.66 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHSD17B10GAA

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
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
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