SCHEMBL25875589

SCHEMBL25875589

CC1(C)c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)-c3cc(-c5ccccc5)ccc3O4)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.37
PGR P06401 2/20 0.32
ATM Q13315 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
SMAD3 P84022 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25875483 0.97 PDK2 (0.35) PDK2PGRATMKDM4EMAPK1
SCHEMBL25875723 0.93 PDK2 (0.37) PDK2PGRATMKDM4EMAPK1
SCHEMBL25868886 0.91 KDM4E (0.39) PDK2ATMKDM4EMAPK1MEN1
SCHEMBL25843054 0.91 KDM4E (0.41) PDK2ATMKDM4EMAPK1MEN1
SCHEMBL25874623 0.88 PDK2 (0.39) PDK2ATMKDM4EMAPK1MEN1
SCHEMBL25875585 0.88 HSP90AA1 (0.34) PGRKDM4EMEN1NPC1MAPT
SCHEMBL25876655 0.88 ATM (0.34) PDK2PGRATMKDM4EMAPK1
SCHEMBL25876589 0.88 KDM4E (0.34) PGRATMKDM4EMAPK1
SCHEMBL19600422 0.87 KDM4E (0.37) PDK2ATMKDM4EMAPK1MEN1
SCHEMBL25843166 0.87 KDM4E (0.40) ATMKDM4EMAPK1MEN1KMT2A

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