SCHEMBL25860394

SCHEMBL25860394

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3cccc4c3Oc3cccc5cccc-4c35)ccc2-c2ccc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TYMS P04818 1/20 0.34
PDK2 Q15119 1/20 0.31
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
SCHEMBL25844067 1.00 KDM4E (0.40) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25843820 0.94 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25860398 0.91 KDM4E (0.38) KDM4EMAPK1ATMTYMS
SCHEMBL25859643 0.91 KDM4E (0.40) KDM4EMAPK1ATMPDK2ENPP3
SCHEMBL25844068 0.91 KDM4E (0.40) KDM4EMAPK1ATMPDK2ENPP3
SCHEMBL25841655 0.90 MAPK1 (0.46) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25860403 0.89 KDM4E (0.38) KDM4EMAPK1ATMTYMS
SCHEMBL25841815 0.89 KDM4E (0.38) KDM4EMAPK1ATMTYMS
SCHEMBL25868278 0.88 KDM4E (0.45) KDM4EMAPK1ATMTYMSPDK2
SCHEMBL25843741 0.87 KDM4E (0.42) 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