SCHEMBL24949366

SCHEMBL24949366

c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CYP11B1 P15538 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL24949261 0.95 KDM4E (0.32) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL21971822 0.93 HSD17B1 (0.33) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL24948862 0.93 KDM4E (0.33) KDM4EATML3MBTL1CYP11B1PDE10A
SCHEMBL24947146 0.93 KDM4E (0.38) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL23442835 0.93 ATM (0.40) KDM4EATML3MBTL1PDE10AALDH1A1
SCHEMBL24949413 0.93 ATM (0.40) KDM4EATML3MBTL1PDE10AALDH1A1
SCHEMBL21971381 0.92 CA12 (0.34) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL24948632 0.91 KDM4E (0.33) KDM4EATML3MBTL1HSD17B1HSD17B2
SCHEMBL24949281 0.91 HSD17B1 (0.31) HSD17B1HSD17B2CYP11B1
SCHEMBL24946893 0.91 KDM4E (0.36) KDM4EATML3MBTL1HSD17B1HSD17B2

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
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed