SCHEMBL5317121

SCHEMBL5317121

C[Si](C)(C)OCOc1ccc(CC#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.38
FLT3 P36888 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
MTOR P42345 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAOB P27338 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL6656162 0.80 PKM (0.44) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL1235239 0.76 NQO1 (0.58) GAAPKM
SCHEMBL17215124 0.75 GAA (0.43) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL4996156 0.75 PKM (0.40) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL6573094 0.74 GAA (0.42) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL28110894 0.74 GAA (0.42) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL7774589 0.73 LMNA (0.49) L3MBTL1KMT2A
SCHEMBL1823685 0.73 LTA4H (0.48)
SCHEMBL4996149 0.72 PKM (0.39) L3MBTL1GAAPKMFLT3KMT2A
SCHEMBL9570661 0.72 HRH3 (0.44) GAA

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-2007077141-A1 METHOD FOR PRODUCING SUBSTITUTED PHENYLACETYL CARBINOLS BASF AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed