Sugi Predict

Sugi Predict / Compounds / SCHEMBL25868936

SCHEMBL25868936

SCHEMBL25868936

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3cccc-2c13

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PDK2 Q15119 18/20 0.35
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL25841650 0.95 KDM4E (0.43) KDM4EMAPK1ATMPDK2
SCHEMBL25903818 0.95 KDM4E (0.43) KDM4EMAPK1ATMPDK2
SCHEMBL25868883 0.94 KDM4E (0.46) KDM4EMAPK1ATMPDK2CA12
SCHEMBL25859505 0.94 KDM4E (0.42) KDM4EMAPK1ATMPDK2
SCHEMBL25868888 0.93 MAPK1 (0.42) KDM4EMAPK1ATMPDK2CA12
SCHEMBL25879103 0.93 KDM4E (0.41) KDM4EMAPK1ATMPDK2
SCHEMBL25874616 0.91 PDK2 (0.36) KDM4EMAPK1ATMPDK2
SCHEMBL25874623 0.90 PDK2 (0.39) KDM4EMAPK1ATMPDK2
SCHEMBL25874826 0.90 PDK2 (0.39) KDM4EMAPK1ATMPDK2
SCHEMBL25868560 0.90 KDM4E (0.41) KDM4EMAPK1ATMPDK2

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