SCHEMBL25850070

SCHEMBL25850070

c1ccc2c(c1)Oc1c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)cccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TYMS P04818 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDK2 Q15119 3/20 0.31

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
SCHEMBL25849939 0.94 KDM4E (0.34) MAPK1ATMKDM4E
SCHEMBL25847497 0.91 PDK2 (0.35) PDK2
SCHEMBL25849783 0.91 KDM4E (0.35) MAPK1ATMKDM4EPDK2
SCHEMBL25843367 0.90 MAPK1 (0.44) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25874944 0.90 MAPK1 (0.45) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25843370 0.89 MAPK1 (0.43) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25871888 0.89 MAPK1 (0.42) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25848313 0.89 PDK2 (0.34) PDK2
SCHEMBL25853016 0.88 KDM4E (0.35) MAPK1ATMKDM4EPDK2
SCHEMBL25876913 0.88 MAPK1 (0.41) MAPK1ATMKDM4ETYMSALDH1A1

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