SCHEMBL1969760

SCHEMBL1969760

Cc1cc(NC2CCC(C(=O)O)C2)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.79
MINK1 Q8N4C8 3/20 0.79
DYRK3 O43781 2/20 0.79
MARK3 P27448 2/20 0.79
PLK1 P53350 2/20 0.79
MAP4K5 Q9Y4K4 2/20 0.79
ERBB2 P04626 1/20 0.62
PIM1 P11309 1/20 0.62
CAMK2B Q13554 1/20 0.62
CDC42BPA Q5VT25 1/20 0.62
PIM3 Q86V86 1/20 0.62
SRPK1 Q96SB4 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
MAP3K20 Q9NYL2 1/20 0.62
S1PR1 P21453 16/20 0.59
S1PR3 Q99500 13/20 0.59
S1PR5 Q9H228 10/20 0.59

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
SCHEMBL1969761 1.00 MAP4K4 (0.79) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2339654 1.00 MAP4K4 (0.79) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1969764 1.00 MAP4K4 (0.79) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2340753 0.94 MAP4K4 (0.82) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2341757 0.90 MAP4K4 (0.93) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2338187 0.89 MAP4K4 (0.84) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12391386 0.88 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL3746206 0.88 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2346100 0.88 MAP4K4 (1.00) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1967902 0.88 MAP4K4 (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed