SCHEMBL25868888

SCHEMBL25868888

c1ccc2c(c1)Oc1ccc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6ccccc6cc54)cc3)c3cccc-2c13

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
PDK2 Q15119 15/20 0.34
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 2/20 0.31
CASP1 P29466 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
CASP7 P55210 1/20 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
SCHEMBL25859431 0.96 MAPK1 (0.43) MAPK1KDM4EATMPDK2MAOA
SCHEMBL25842239 0.96 MAPK1 (0.43) MAPK1KDM4EATMPDK2MAOA
SCHEMBL25869857 0.95 MAPK1 (0.41) MAPK1KDM4EATMPDK2MAOA
SCHEMBL25868936 0.93 KDM4E (0.41) MAPK1KDM4EATMPDK2CA12
SCHEMBL25868883 0.92 KDM4E (0.46) MAPK1KDM4EATMPDK2MAOA
SCHEMBL25842487 0.92 MAPK1 (0.43) MAPK1KDM4EATMMAOAMAOB
SCHEMBL25868881 0.92 MAPK1 (0.43) MAPK1KDM4EATMMAOAMAOB
SCHEMBL25868555 0.91 MAPK1 (0.42) MAPK1KDM4EATMPDK2MAOA
SCHEMBL25903818 0.89 KDM4E (0.43) MAPK1KDM4EATMPDK2
SCHEMBL25841650 0.89 KDM4E (0.43) MAPK1KDM4EATMPDK2

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