SCHEMBL25870908

SCHEMBL25870908

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PDK2 Q15119 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL25850387 0.96 KDM4E (0.31) PDK2KDM4EMAPK1ATM
SCHEMBL25871100 0.94 PDK2 (0.31) PDK2
SCHEMBL25879340 0.94 KDM4E (0.31) KDM4EMAPK1ATM
SCHEMBL25871092 0.92 PDK2 (0.33) CA12CA1CA2CA9PDK2
SCHEMBL25871681 0.92 DNMT1 (0.32) PDK2KDM4EMAPK1ATM
SCHEMBL25871006 0.91 CA12 (0.32) CA12CA1CA2CA9KDM4E
SCHEMBL25866175 0.91 KDM4E (0.32) CA12CA1CA2CA9PDK2
SCHEMBL25872728 0.91 ENPP3 (0.30)
SCHEMBL25853380 0.89 PDK2 (0.32) PDK2
SCHEMBL25879342 0.89 KDM4E (0.32) CA12CA1CA2CA9PDK2

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