SCHEMBL23790901

SCHEMBL23790901

C1=CC(c2cccc(Nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)=CCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.34
TSPO P30536 1/20 0.31
HDAC4 P56524 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
ABL1 P00519 2/20 0.30
EGFR P00533 2/20 0.30
PDGFRB P09619 2/20 0.30
FGFR1 P11362 2/20 0.30
SRC P12931 2/20 0.30
KDR P35968 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
SCHEMBL21698273 0.90 L3MBTL1 (0.43) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23228100 0.87 L3MBTL1 (0.43) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23284396 0.87 ATM (0.40) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL21583582 0.87 L3MBTL1 (0.47) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL22173059 0.86 ATM (0.39) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL19723411 0.86 L3MBTL1 (0.42) KDM4EATML3MBTL1TSPOHDAC4
SCHEMBL23423485 0.86 L3MBTL1 (0.49) KDM4EATML3MBTL1EPHX2TSPO
SCHEMBL23423580 0.86 L3MBTL1 (0.49) KDM4EATML3MBTL1EPHX2TSPO
SCHEMBL23423670 0.86 L3MBTL1 (0.49) KDM4EATML3MBTL1EPHX2TSPO
SCHEMBL23423626 0.86 L3MBTL1 (0.49) KDM4EATML3MBTL1EPHX2TSPO

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
EP-3560941-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOUND INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-09-08 EP disclosed