SCHEMBL20941978

SCHEMBL20941978

c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)cc3)c2)cc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.30

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
SCHEMBL20941957 0.96 ALDH1A1 (0.30) PDK2
SCHEMBL20940935 0.96 ALDH1A1 (0.30) PDK2
SCHEMBL20941112 0.96 PDK2 (0.31) PDK2
SCHEMBL20940771 0.95
SCHEMBL20941968 0.95 ALDH1A1 (0.31) PDK2
SCHEMBL20940909 0.95 ALDH1A1 (0.31) PDK2
SCHEMBL20941942 0.95 ALDH1A1 (0.31) PDK2
SCHEMBL20940907 0.95 ALDH1A1 (0.31) PDK2
SCHEMBL20940925 0.95 PDK2 (0.30) PDK2
SCHEMBL20940741 0.94 ALDH1A1 (0.30)

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-2019078443-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed