SCHEMBL4384960

SCHEMBL4384960

CC(C)Oc1ccc(-c2noc(CC(F)C(F)F)n2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.52
MINK1 Q8N4C8 3/20 0.52
PRKCD Q05655 1/20 0.52
S1PR1 P21453 14/20 0.51
S1PR3 Q99500 3/20 0.47
SCN5A Q14524 2/20 0.45
SCN10A Q9Y5Y9 2/20 0.45
DYRK3 O43781 1/20 0.44
MARK3 P27448 1/20 0.44
PLK1 P53350 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL3743573 0.88 MAP4K4 (0.58) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3745599 0.84 MAP4K4 (0.56) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3740077 0.84 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3740654 0.83 MAP4K4 (0.55) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL13045319 0.83 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3749362 0.82 MAP4K4 (0.54) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3747416 0.82 MAPK1 (0.58) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3736447 0.81 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3741627 0.81 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3747540 0.81 S1PR1 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3

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-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed