SCHEMBL23737765

SCHEMBL23737765

C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6ccccc56)cc4)ccc3n2-c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALK Q9UM73 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TLR4 O00206 1/20 0.31
PTGER4 P35408 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19074839 0.94 KDM4E (0.36) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL19723404 0.93 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL26468995 0.90 TLR4 (0.32) CA12CA1CA2CA9TLR4
SCHEMBL18903134 0.89 L3MBTL1 (0.45) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL26156841 0.89 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL29343543 0.88 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL26252230 0.88 KDM4E (0.42) KDM4EATML3MBTL1PTGER4
SCHEMBL25524485 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL17012686 0.88 ATM (0.39) KDM4EATML3MBTL1PTGER4MAPT
SCHEMBL19791137 0.87 KDM4E (0.40) KDM4EATML3MBTL1PTGER4MAPT

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
EP-3863077-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2022-05-04 EP disclosed
EP-3863077-A1 ORGANIC LIGHT EMITTING DIODE LG Chem, Ltd. (KR) 2021-08-11 EP disclosed