Sugi Predict

Sugi Predict / Compounds / SCHEMBL25868887

SCHEMBL25868887

SCHEMBL25868887

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4ccccc54)cc3)c3cccc-2c13

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ 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
SCHEMBL25841810 0.96 KDM4E (0.43) KDM4EMAPK1ATM
SCHEMBL25869856 0.95 KDM4E (0.40) KDM4EMAPK1ATM
SCHEMBL25874341 0.93 KDM4E (0.35) KDM4EMAPK1ATMCA12CA1
SCHEMBL25879100 0.93 KDM4E (0.41) KDM4EMAPK1ATM
SCHEMBL25874506 0.92 KDM4E (0.34) KDM4EMAPK1ATMCA12CA1
SCHEMBL25874346 0.92 KDM4E (0.34) KDM4EMAPK1ATMCA12CA1
SCHEMBL25842124 0.92 KDM4E (0.43) KDM4EMAPK1ATM
SCHEMBL25879095 0.91 KDM4E (0.38) KDM4EMAPK1ATM
SCHEMBL25841943 0.91 KDM4E (0.44) KDM4EMAPK1ATM
SCHEMBL25868883 0.91 KDM4E (0.46) KDM4EMAPK1ATMCA12CA1

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