SCHEMBL25879010

SCHEMBL25879010

CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(-c4ccc5c6c(cccc46)-c4ccccc4O5)cc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
PDK2 Q15119 1/20 0.30
PARP1 P09874 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
SCHEMBL25879166 0.91 KDM4E (0.33) KDM4EMAPK1ATMESR1ESR2
SCHEMBL25842879 0.88 KDM4E (0.39) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25868937 0.88 KDM4E (0.34) KDM4EMAPK1ATMMAPTPDK2
SCHEMBL25903778 0.86 KDM4E (0.41) KDM4EMAPK1ATM
SCHEMBL25903818 0.86 KDM4E (0.43) KDM4EMAPK1ATMMEN1KMT2A
SCHEMBL25841650 0.86 KDM4E (0.43) KDM4EMAPK1ATMMEN1KMT2A
SCHEMBL25879098 0.85 KDM4E (0.38) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25868938 0.85 KDM4E (0.36) KDM4EMAPK1ATM
SCHEMBL25859505 0.85 KDM4E (0.42) KDM4EMAPK1ATMMEN1KMT2A
SCHEMBL25879103 0.84 KDM4E (0.41) KDM4EMAPK1ATMPDK2

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