SCHEMBL25868883

SCHEMBL25868883

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cccc6cccc4c56)cc3)c3cccc-2c13

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PDK2 Q15119 7/20 0.32
TYMS P04818 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL25843362 0.95 MAPK1 (0.48) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25869850 0.94 KDM4E (0.45) KDM4EMAPK1ATMPDK2TYMS
SCHEMBL25868936 0.94 KDM4E (0.41) KDM4EMAPK1ATMCA12CA1
SCHEMBL25868888 0.92 MAPK1 (0.42) KDM4EMAPK1ATMCA12CA1
SCHEMBL25874937 0.92 KDM4E (0.39) KDM4EMAPK1ATMCA12CA1
SCHEMBL25875186 0.91 KDM4E (0.38) KDM4EMAPK1ATMCA12CA1
SCHEMBL25874943 0.91 KDM4E (0.38) KDM4EMAPK1ATMCA12CA1
SCHEMBL25868425 0.91 MAPK1 (0.46) KDM4EMAPK1ATMTYMSMAOA
SCHEMBL25868887 0.91 KDM4E (0.41) KDM4EMAPK1ATMCA12CA1
SCHEMBL25868817 0.90 KDM4E (0.47) KDM4EMAPK1ATMTYMS

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