SCHEMBL13458407

SCHEMBL13458407

O=C(O)c1ccc(C2=NOC(c3cc(Cl)cc(I)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
ORAI1 Q96D31 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL871382 0.93 PDK2 (0.36) PDK2ORAI1DHODH
SCHEMBL21863425 0.93 PDK2 (0.36) PDK2ORAI1DHODH
SCHEMBL870417 0.89 PDK2 (0.34) PDK2ORAI1DHODH
SCHEMBL2780339 0.89 ACLY (0.38) PDK2ORAI1DHODH
SCHEMBL30313890 0.89 ACLY (0.38) PDK2ORAI1DHODH
SCHEMBL1936965 0.87 FABP4 (0.34) PDK2ORAI1DHODH
SCHEMBL871548 0.86 PDK2 (0.40) PDK2ORAI1
SCHEMBL3107680 0.85 PDK2 (0.39) PDK2ORAI1
SCHEMBL871282 0.85 PDK2 (0.37) PDK2ORAI1
SCHEMBL10316194 0.84 TYMS (0.35) PDK2

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-2010025998-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-03-11 WO disclosed