SCHEMBL25860852

SCHEMBL25860852

CC1(c2ccccc2)c2cc(-c3ccc4c(c3)Oc3cccc5cccc-4c35)ccc2-c2ccc3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TYMS P04818 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL25860065 0.93 KDM4E (0.42) KDM4EMAPK1ATMTYMSCHRNA1
SCHEMBL25859284 0.92 KDM4E (0.39) KDM4EMAPK1ATMCHRNA1CHRNG
SCHEMBL25859511 0.90 KDM4E (0.40) KDM4EMAPK1ATMCHRNA1CHRNG
SCHEMBL25859886 0.89 KDM4E (0.36) KDM4EMAPK1ATMTYMSCHRNA1
SCHEMBL25860553 0.89 KDM4E (0.36) KDM4EMAPK1ATMTYMSCHRNA1
SCHEMBL25860850 0.89 KDM4E (0.42) KDM4EMAPK1ATMTYMS
SCHEMBL25842887 0.88 KDM4E (0.48) KDM4EMAPK1ATMTYMS
SCHEMBL25860841 0.87 KDM4E (0.45) KDM4EMAPK1ATMTYMS
SCHEMBL25860854 0.87 KDM4E (0.47) KDM4EMAPK1ATMTYMSENPP3
SCHEMBL25860985 0.86 MAPK1 (0.46) 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