SCHEMBL23936722

SCHEMBL23936722

CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)C(C)(C)c4ccccc4-5)c3)ccc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 15/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23936742 0.96 PDK2 (0.37) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936260 0.96 PDK2 (0.39) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936631 0.96 PDK2 (0.40) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936601 0.96 PDK2 (0.40) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936495 0.95 PDK2 (0.39) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936489 0.95 PDK2 (0.41) PDK2PGR
SCHEMBL23936055 0.95 PDK2 (0.37) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936510 0.95 PDK2 (0.38) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936682 0.95 PDK2 (0.40) PDK2MAPTL3MBTL1MEN1APAF1
SCHEMBL23936179 0.94 PDK2 (0.42) PDK2MAPTL3MBTL1KDM4EALDH1A1

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
US-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed