SCHEMBL2012376

SCHEMBL2012376

CCOC(=O)c1cc(C#C[Si](C)(C)C)c(O)nc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
HSD17B10 Q99714 4/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL16616673 0.82 KDM4E (0.72) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL29795690 0.77 KDM4E (0.66) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4739612 0.77 KDM4E (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL5820160 0.74 KDM4E (0.52) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL2301745 0.74 KDM4E (0.77) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL2016630 0.74 KDM4E (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL2929292 0.74 KDM4E (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL17294334 0.73 KDM4E (0.64) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL14465322 0.73 HSD17B10 (0.44) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL10254012 0.71 KDM4E (0.62) KDM4EHSD17B10GAAL3MBTL1ALDH1A1

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-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed