SCHEMBL24905368

SCHEMBL24905368

c1ccc(-c2cccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.37
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
OPRK1 P41145 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.31
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
THRB P10828 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
SCHEMBL22425433 0.99 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24904765 0.96 PDK2 (0.36) PDK2
SCHEMBL22425643 0.93 PDK2 (0.38) PDK2MAPTMEN1LMNAKMT2A
SCHEMBL22425439 0.93 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24904682 0.93 KDM4E (0.37) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24905372 0.93 PDK2 (0.36) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL15213973 0.93 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24751870 0.93 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL24750431 0.93 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA
SCHEMBL25496141 0.92 PDK2 (0.38) PDK2MAPTKDM4EMEN1LMNA

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