SCHEMBL25850794

SCHEMBL25850794

c1ccc2c(c1)Oc1cccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c1C21c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
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
SCHEMBL25865873 0.94 PDK2 (0.31) PDK2MCL1ACMSD
SCHEMBL25850640 0.94 PDK2 (0.31) PDK2MCL1ACMSD
SCHEMBL25850450 0.94 KDM4E (0.31) PDK2KDM4EMAPK1ATM
SCHEMBL25866898 0.92 MCL1 (0.31) MCL1ACMSD
SCHEMBL25850630 0.91 PDK2 (0.31) PDK2ENPP3ENPP1
SCHEMBL25866175 0.90 KDM4E (0.32) PDK2KDM4EMAPK1ATMENPP3
SCHEMBL25871092 0.89 PDK2 (0.33) PDK2KDM4EMAPK1ATM
SCHEMBL25864078 0.89 PDK2 (0.31) PDK2KDM4EMAPK1ATM
SCHEMBL25853628 0.89 PDK2 (0.32) PDK2KDM4EENPP3ENPP1
SCHEMBL25865146 0.89 PDK2 (0.32) PDK2KDM4EENPP3ENPP1

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