SCHEMBL24905415

SCHEMBL24905415

c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)c4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 11/20 0.38
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APAF1 O14727 1/20 0.35
NPC1 O15118 1/20 0.35
THRB P10828 1/20 0.35
XBP1 P17861 1/20 0.35
PTBP1 P26599 1/20 0.35

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
SCHEMBL16810681 1.00 PDK2 (0.38) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL18160231 1.00 PDK2 (0.38) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL24905419 1.00 PDK2 (0.38) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL16810715 1.00 PDK2 (0.38) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL24750747 0.99 PDK2 (0.39) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL22182309 0.99 PDK2 (0.39) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL22182308 0.99 PDK2 (0.39) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL24905018 0.99 PDK2 (0.39) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL23449543 0.99 PDK2 (0.39) PDK2MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL16810717 0.97 PDK2 (0.40) 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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed