SCHEMBL25868557

SCHEMBL25868557

c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c3cccc-2c13

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDK2 Q15119 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
SCHEMBL25843930 0.96 KDM4E (0.43) MAPK1KDM4EATMPDK2
SCHEMBL25879163 0.94 MAPK1 (0.43) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25869858 0.93 KDM4E (0.40) MAPK1KDM4EATMPDK2
SCHEMBL25868935 0.92 KDM4E (0.41) MAPK1KDM4EATMPDK2
SCHEMBL25868278 0.90 KDM4E (0.45) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25843815 0.90 KDM4E (0.42) MAPK1KDM4EATM
SCHEMBL25868560 0.90 KDM4E (0.41) MAPK1KDM4EATMPDK2
SCHEMBL25868425 0.89 MAPK1 (0.46) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25868555 0.88 MAPK1 (0.42) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25844074 0.87 KDM4E (0.46) MAPK1KDM4EATMALDH1A1HPGD

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