SCHEMBL4198809

SCHEMBL4198809

Cc1ccsc1-c1ccnc2ccc(C=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.39
MAP3K14 Q99558 1/20 0.38
PIK3CD O00329 1/20 0.37
GAK O14976 1/20 0.37
RPS6KA4 O75676 1/20 0.37
STK10 O94804 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37
MAP2K2 P36507 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
CSNK1D P48730 1/20 0.37
PIK3CG P48736 1/20 0.37
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MAP2K1 Q02750 1/20 0.37
DYRK1A Q13627 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL13951181 0.87 MAP3K14 (0.40) CYP2A6MAP3K14PIK3CDGAKRPS6KA4
SCHEMBL4189449 0.80 PIM1 (0.66) PIK3CDGAKRPS6KA4STK10PIM1
SCHEMBL4189437 0.80 PIM1 (0.66) PIK3CDGAKRPS6KA4STK10PIM1
SCHEMBL4189445 0.80 PIM1 (0.66) PIK3CDGAKRPS6KA4STK10PIM1
SCHEMBL4199482 0.79 RIPK2 (0.39) CYP2A6CLK1CLK2DYRK1AALDH1A1
SCHEMBL4188009 0.78 PIK3CA (0.41) CYP2A6MAP3K14PIK3CDGAKRPS6KA4
SCHEMBL4585191 0.77 SMN1; SMN2 (0.47) CYP2A6ALDH1A1MEN1KMT2AHPGD
SCHEMBL29935762 0.77 SMN1; SMN2 (0.47) CYP2A6ALDH1A1MEN1KMT2AHPGD
SCHEMBL4192315 0.76 PIK3CA (0.40) CYP2A6MAP3K14PIK3CDGAKRPS6KA4
SCHEMBL4191687 0.76 TOP2A (0.43) MAP3K14PIK3CDGAKRPS6KA4STK10

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