SCHEMBL4195351

SCHEMBL4195351

Cc1c(B(O)O)sc2cc(C#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.38
▸ DYRK1A Q13627 1/20 0.36
▸ G6PD P11413 1/20 0.35
▸ MIF P14174 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ APP P05067 3/20 0.33
▸ LIMK1 P53667 1/20 0.32
▸ PPARA Q07869 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1G2 P78368 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30
▸ VCAM1 P19320 1/20 0.30
▸ HSD17B3 P37058 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29956540 1.00 ENPP2 (0.38) ENPP2DYRK1AG6PDMIFALDH1A1
SCHEMBL13730381 0.78 ALDH1A1 (0.39) DYRK1AG6PDMIFALDH1A1CYP2A6
SCHEMBL17341212 0.76 CYP2A6 (0.39) DYRK1AG6PDMIFALDH1A1CYP2A6
SCHEMBL13951016 0.76 ALDH1A1 (0.44) ENPP2ALDH1A1CYP2A6
SCHEMBL2904523 0.74 GPR35 (0.54) DYRK1AG6PDMIFESR1
SCHEMBL549183 0.73 G6PD (0.45) DYRK1AG6PDMIFALDH1A1CYP2A6
SCHEMBL19135535 0.73 G6PD (0.35) DYRK1AG6PDMIFALDH1A1CYP2A6
SCHEMBL17340894 0.73 CSNK1D (0.39) DYRK1AG6PDMIFALDH1A1CYP2A6
SCHEMBL23624414 0.72 ENPP2 (0.41) ENPP2DYRK1AG6PDMIFAPP
SCHEMBL18347531 0.71 ALDH1A1 (0.48) DYRK1AG6PDMIFALDH1A1CYP2A6

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
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