SCHEMBL25868416

SCHEMBL25868416

c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc5ccccc5c43)c3cccc-2c13

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
DNMT1 P26358 1/20 0.33
TYMS P04818 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ANPEP P15144 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
SCHEMBL25843738 0.99 KDM4E (0.47) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25879106 0.95 KDM4E (0.48) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25868816 0.91 KDM4E (0.44) MAPK1ATMKDM4ETYMS
SCHEMBL25868551 0.90 MAPK1 (0.47) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25868417 0.90 MAPK1 (0.49) MAPK1ATMKDM4ETYMSALDH1A1
SCHEMBL25868549 0.90 KDM4E (0.46) MAPK1ATMKDM4ETYMS
SCHEMBL25841950 0.89 KDM4E (0.48) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25879105 0.89 KDM4E (0.48) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25843740 0.89 KDM4E (0.43) MAPK1ATMKDM4EDNMT1TYMS
SCHEMBL25841666 0.88 KDM4E (0.47) MAPK1ATMKDM4ETYMS

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