SCHEMBL25879169

SCHEMBL25879169

c1ccc(C2(c3cccc4ccccc34)c3ccccc3-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
KIF11 P52732 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
SCHEMBL25842879 0.92 KDM4E (0.39) KDM4EMAPK1ATM
SCHEMBL25903778 0.90 KDM4E (0.41) KDM4EMAPK1ATM
SCHEMBL25879005 0.89 KDM4E (0.44) KDM4EMAPK1ATMKIF11
SCHEMBL25901830 0.89 KDM4E (0.44) KDM4EMAPK1ATMKIF11
SCHEMBL25879170 0.89 KDM4E (0.39) KDM4EMAPK1ATM
SCHEMBL25859515 0.88 MAPK1 (0.42) KDM4EMAPK1ATMMCL1ACMSD
SCHEMBL25903818 0.88 KDM4E (0.43) KDM4EMAPK1ATM
SCHEMBL25841650 0.88 KDM4E (0.43) KDM4EMAPK1ATM
SCHEMBL25879163 0.87 MAPK1 (0.43) KDM4EMAPK1ATMMCL1ACMSD
SCHEMBL25843362 0.87 MAPK1 (0.48) KDM4EMAPK1ATM

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
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed