SCHEMBL4196335

SCHEMBL4196335

O=Cc1ccc2nccc(-c3csc4ccccc34)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.45
CYP2A6 P11509 1/20 0.44
TGFBR1 P36897 1/20 0.42
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
GAK O14976 1/20 0.39
RPS6KA4 O75676 1/20 0.39
STK10 O94804 1/20 0.39
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
MAP2K2 P36507 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
CSNK1D P48730 1/20 0.39
PIK3CG P48736 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CSNK1G2 P78368 1/20 0.39
MAP2K1 Q02750 1/20 0.39
DYRK1A Q13627 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
SCHEMBL4196953 0.80 PIM1 (0.67) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL13951183 0.80 PIM1 (0.67) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL4196950 0.80 PIM1 (0.67) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL4192329 0.76 ERN1 (0.43) ERN1CYP2A6PIK3CAPIK3CDGAK
SCHEMBL4188009 0.75 PIK3CA (0.41) CYP2A6PIK3CAPIK3CDGAKRPS6KA4
SCHEMBL4191687 0.75 TOP2A (0.43) ERN1TGFBR1PIK3CAPIK3CDGAK
SCHEMBL4396346 0.74 TGFBR1 (0.44) ERN1TGFBR1PIK3CAPIK3CDGAK
SCHEMBL732106 0.74 PIK3CA (0.60) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL30827802 0.74 PIK3CA (0.60) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL4192315 0.73 PIK3CA (0.40) CYP2A6PIK3CAPIK3CDGAKRPS6KA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed