SCHEMBL25859801

SCHEMBL25859801

c1ccc(C2(c3ccccc3)c3cc(-c4cccc5c4-c4cccc6cccc(c46)O5)ccc3-c3c2ccc2ccccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TYMS P04818 1/20 0.33
GPR84 Q9NQS5 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
MAPK3 P27361 1/20 0.30
AHR P35869 1/20 0.30
PAX8 Q06710 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL25863084 0.92 KDM4E (0.38) KDM4EMAPK1ATMTYMSGPR84
SCHEMBL25855298 0.91 KDM4E (0.37) KDM4EMAPK1ATMTYMSCYP1A1
SCHEMBL25841807 0.90 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25854686 0.90 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25859805 0.90 KDM4E (0.39) KDM4EMAPK1ATMTYMS
SCHEMBL25860840 0.89 KDM4E (0.44) KDM4EMAPK1ATMTYMSCYP1A1
SCHEMBL25859802 0.89 KDM4E (0.38) KDM4EMAPK1ATMTYMSCYP1A1
SCHEMBL25860396 0.88 KDM4E (0.37) KDM4EMAPK1ATMTYMSGPR84
SCHEMBL25860059 0.88 KDM4E (0.43) KDM4EMAPK1ATMTYMS
SCHEMBL25842877 0.88 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