SCHEMBL1965142

SCHEMBL1965142

CC(C)Oc1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4C)cc3Cl)n2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.66
MINK1 Q8N4C8 3/20 0.66
DYRK3 O43781 1/20 0.52
MARK3 P27448 1/20 0.52
PLK1 P53350 1/20 0.52
MAP4K5 Q9Y4K4 1/20 0.52
S1PR1 P21453 17/20 0.51
S1PR3 Q99500 7/20 0.51
S1PR5 Q9H228 2/20 0.51
S1PR4 O95977 1/20 0.49
PRKCD Q05655 1/20 0.45

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
SCHEMBL3734653 0.87 MAP4K4 (0.87) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1965060 0.81 MAP4K4 (0.67) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL13045475 0.80 MAP4K4 (0.87) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL3734659 0.80 MAP4K4 (0.77) MAP4K4MINK1S1PR1S1PR3S1PR5
SCHEMBL3739728 0.80 MAP4K4 (0.83) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1966060 0.80 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
Acetic Acid SCHEMBL3745831 0.79 MAP4K4 (0.84) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2339549 0.78 MAP4K4 (0.72) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2339534 0.78 MAP4K4 (0.72) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1969164 0.77 MAP4K4 (0.78) MAP4K4MINK1DYRK3MARK3PLK1

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
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed