SCHEMBL25870910

SCHEMBL25870910

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5cccc6cccc4c56)cc3)cc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
PDK2 Q15119 2/20 0.31
TYMS P04818 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25871101 0.94 KDM4E (0.35) MAPK1KDM4EATMPDK2
SCHEMBL25873345 0.94 KDM4E (0.38) MAPK1KDM4EATMPDK2TYMS
SCHEMBL25871005 0.93 PDK2 (0.35) MAPK1KDM4EATMPDK2
SCHEMBL25872729 0.91 KDM4E (0.36) MAPK1KDM4EATM
SCHEMBL25871683 0.91 MAPK1 (0.39) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25876913 0.90 MAPK1 (0.41) MAPK1KDM4EATMPDK2TYMS
SCHEMBL25849945 0.90 MAPK1 (0.43) MAPK1KDM4EATMPDK2TYMS
SCHEMBL25849368 0.90 KDM4E (0.37) MAPK1KDM4EATM
SCHEMBL25868636 0.89 KDM4E (0.48) MAPK1KDM4EATMTYMS
SCHEMBL25850257 0.89 MAPK1 (0.42) MAPK1KDM4EATMPDK2TYMS

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