SCHEMBL8180280

SCHEMBL8180280

COc1cc(C=CC=CC=C2SC(=O)NC2=O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.70
PIM3 Q86V86 5/20 0.70
PIM2 Q9P1W9 5/20 0.70
GSK3B P49841 3/20 0.70
CDC7 O00311 3/20 0.70
DAPK3 O43293 3/20 0.70
DYRK3 O43781 3/20 0.70
MAP4K4 O95819 3/20 0.70
RPS6KB1 P23443 3/20 0.70
CSNK1D P48730 3/20 0.70
CLK2 P49760 3/20 0.70
GSK3A P49840 3/20 0.70
CSNK1G2 P78368 3/20 0.70
CAMK2D Q13557 3/20 0.70
DYRK1A Q13627 3/20 0.70
HIPK4 Q8NE63 3/20 0.70
BRSK1 Q8TDC3 3/20 0.70
HIPK2 Q9H2X6 3/20 0.70
CLK4 Q9HAZ1 3/20 0.70
MKNK2 Q9HBH9 3/20 0.70

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
SCHEMBL8180277 1.00 PIM1 (0.70) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL4261320 0.95 PIM1 (0.73) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL8172711 0.88 IGF1R (0.68) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL8172712 0.88 IGF1R (0.68) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL8180686 0.83 IGF1R (0.64) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL8179972 0.83 IGF1R (0.71) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL15421409 0.82 PIM1 (1.00) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL1248758 0.82 PIM1 (1.00) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL1248757 0.82 PIM1 (1.00) PIM1PIM3PIM2GSK3BCDC7
SCHEMBL21798699 0.79 XDH (0.77) GSK3BDYRK3DYRK1ACLK4CSNK2A1

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed