SCHEMBL25859731

SCHEMBL25859731

CC1(c2ccccc2)c2cc(-c3ccc4cccc5c4c3Oc3ccccc3-5)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRND Q07001 1/20 0.31
GPR84 Q9NQS5 2/20 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
SCHEMBL25859510 0.89 KDM4E (0.40) KDM4EMAPK1ATMCHRNA1CHRNG
SCHEMBL25865682 0.89 CHRNA1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25842968 0.89 KDM4E (0.40) KDM4EMAPK1ATM
SCHEMBL25859645 0.88 KDM4E (0.37) KDM4EMAPK1ATMGPR84
SCHEMBL25859734 0.88 KDM4E (0.39) KDM4EMAPK1ATMGPR84ENPP3
SCHEMBL25867210 0.87 DRD1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25863165 0.87 KDM4E (0.36) KDM4EMAPK1ATMCHRNA1CHRNG
SCHEMBL25860850 0.87 KDM4E (0.42) KDM4EMAPK1ATM
SCHEMBL25859186 0.86 KDM4E (0.40) KDM4EMAPK1ATM
SCHEMBL25860064 0.86 KDM4E (0.41) KDM4EMAPK1ATM

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