SCHEMBL25859804

SCHEMBL25859804

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3ccc(-c4cccc5c4-c4cccc6cccc(c46)O5)c4ccccc34)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TYMS P04818 1/20 0.36
PDK2 Q15119 1/20 0.30
CES1 P23141 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
SCHEMBL25859884 0.94 KDM4E (0.37) KDM4EMAPK1ATMTYMS
SCHEMBL25841647 0.93 MAPK1 (0.46) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25863087 0.89 KDM4E (0.41) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25843359 0.89 MAPK1 (0.47) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25841807 0.89 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25859805 0.89 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25860842 0.88 MAPK1 (0.51) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25843926 0.87 KDM4E (0.40) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25859800 0.87 KDM4E (0.40) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25842877 0.86 KDM4E (0.42) KDM4EMAPK1ATMTYMSPDK2

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