SCHEMBL25868421

SCHEMBL25868421

CC1(C)c2ccccc2-c2c(-c3ccccc3-c3ccc4c5c(cccc35)-c3ccccc3O4)cccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
PGR P06401 1/20 0.32
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYMS P04818 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
SCHEMBL25842620 0.99 KDM4E (0.46) KDM4EMAPK1ATMCRHBPCRHR2
SCHEMBL25868819 0.90 KDM4E (0.43) KDM4EMAPK1ATMMEN1POLB
SCHEMBL25869731 0.88 KDM4E (0.41) KDM4EMAPK1ATMMEN1POLB
SCHEMBL25876655 0.86 ATM (0.34) KDM4EMAPK1ATMMEN1KMT2A
SCHEMBL25876737 0.86 KDM4E (0.34) KDM4EMAPK1ATMPGR
SCHEMBL25868549 0.86 KDM4E (0.46) KDM4EMAPK1ATMCRHBPCRHR2
SCHEMBL25868423 0.85 KDM4E (0.41) KDM4EMAPK1ATMCRHBPCRHR2
SCHEMBL25876587 0.85 KDM4E (0.33) KDM4EMAPK1ATMTYMS
SCHEMBL25842810 0.85 KDM4E (0.45) KDM4EMAPK1ATMCRHBPCRHR2
SCHEMBL25841666 0.84 KDM4E (0.47) KDM4EMAPK1ATMMEN1POLB

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