SCHEMBL25859513

SCHEMBL25859513

CC1(C)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3O4)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
ANPEP P15144 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30
TYMS P04818 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
SCHEMBL19600412 0.91 KDM4E (0.36) KDM4EMAPK1ATM
SCHEMBL25860069 0.90 KDM4E (0.45) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25860983 0.89 KDM4E (0.46) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25863171 0.89 KDM4E (0.40) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25859734 0.88 KDM4E (0.39) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25859510 0.88 KDM4E (0.40) KDM4EMAPK1ATMCHRNA1CHRNG
SCHEMBL25859889 0.87 KDM4E (0.40) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25862939 0.86 KDM4E (0.43) KDM4EMAPK1ATMANPEPTYMS
SCHEMBL25860556 0.86 KDM4E (0.39) KDM4EMAPK1ATMENPP3ENPP1
SCHEMBL25859512 0.86 MAPK1 (0.43) KDM4EMAPK1ATMENPP3ENPP1

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