SCHEMBL25868425

SCHEMBL25868425

c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cccc5cccc3c45)c3cccc-2c13

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TYMS P04818 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL25843362 0.95 MAPK1 (0.48) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25868560 0.94 KDM4E (0.41) MAPK1ATMKDM4E
SCHEMBL25869850 0.92 KDM4E (0.45) MAPK1ATMKDM4ETYMSMAOA
SCHEMBL25868555 0.92 MAPK1 (0.42) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25868883 0.91 KDM4E (0.46) MAPK1ATMKDM4ETYMSMAOA
SCHEMBL25859505 0.91 KDM4E (0.42) MAPK1ATMKDM4E
SCHEMBL25843642 0.90 KDM4E (0.47) MAPK1ATMKDM4ETYMSMAOA
SCHEMBL25841650 0.90 KDM4E (0.43) MAPK1ATMKDM4E
SCHEMBL25903818 0.90 KDM4E (0.43) MAPK1ATMKDM4E
SCHEMBL25868557 0.89 MAPK1 (0.41) MAPK1ATMKDM4EALDH1A1TSHR

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