SCHEMBL3259644

SCHEMBL3259644

COC(=O)c1sc(-c2nc3ccc(C#N)cc3[nH]2)cc1O[C@H](C)c1cccc(O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
GSK3B P49841 1/20 0.36
CHEK2 O96017 2/20 0.35
CFB P00751 8/20 0.35
PIN1 Q13526 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL4280900 0.90 AMY1A (0.42) HDAC6
SCHEMBL4283167 0.87 SCD (0.41)
SCHEMBL3256847 0.86 FOXO1 (0.41) HDAC6
SCHEMBL4287106 0.80 PLK1 (0.39)
SCHEMBL3248810 0.77 PLK1 (0.54)
SCHEMBL13440007 0.77 PLK1 (0.54)
SCHEMBL4282487 0.76 PDE10A (0.38) PDE10AHDAC6
SCHEMBL3259498 0.75 PLK1 (0.38) HDAC6
SCHEMBL4282457 0.70 PARP1 (0.35)
SCHEMBL3610941 0.69 PLK1 (0.53)

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
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed