SCHEMBL23666558

SCHEMBL23666558

c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.38
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
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
OPRK1 P41145 1/20 0.35
THRB P10828 2/20 0.33
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL25496156 1.00 PDK2 (0.38) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL24646690 0.97 PDK2 (0.36) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL15892441 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL15892440 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL16544732 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL23449414 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL24647085 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL24750938 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL22425411 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1
SCHEMBL15213628 0.97 PDK2 (0.40) PDK2MAPTTDP1KDM4EL3MBTL1

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 2 patents. 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
WO-2021145711-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-07-22 WO disclosed