SCHEMBL21867933

SCHEMBL21867933

CC1(C)c2ccccc2C2(c3ccccc3Oc3cc(-c4cccc(-c5ccccn5)c4)ccc32)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
BACE1 P56817 4/20 0.37
KCNH2 Q12809 1/20 0.37
CTSD P07339 2/20 0.35
GRM5 P41594 4/20 0.34
TNKS O95271 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KAT6A Q92794 1/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
CYP2A6 P11509 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
AURKA O14965 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL21868209 0.96 PDK2 (0.38) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL21868416 0.96 PDK2 (0.38) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL21867651 0.93 PDK2 (0.36) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL17482819 0.91 PDK2 (0.40) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL17482828 0.91 PDK2 (0.40) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL21868183 0.91 PDK2 (0.41) PDK2BACE1KCNH2CTSDTNKS
SCHEMBL17482774 0.89 PDK2 (0.41) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL17482787 0.89 PDK2 (0.41) PDK2BACE1KCNH2CTSDGRM5
SCHEMBL17482788 0.89 PDK2 (0.45) PDK2BACE1KCNH2CTSDCYP2A6
SCHEMBL17482779 0.89 PDK2 (0.45) PDK2BACE1KCNH2CTSDCYP2A6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 WO disclosed