SCHEMBL25859890

SCHEMBL25859890

c1ccc(C2(c3ccccc3)c3cc(-c4cccc5c4-c4cccc6cccc(c46)O5)ccc3-c3cc4ccccc4cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
TYMS P04818 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25842877 0.93 KDM4E (0.42) MAPK1KDM4EATMTYMS
SCHEMBL25854121 0.92 KDM4E (0.40) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25854392 0.91 KDM4E (0.39) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25863172 0.90 MAPK1 (0.40) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25859891 0.89 MAPK1 (0.39) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25843377 0.88 KDM4E (0.42) MAPK1KDM4EATMTYMS
SCHEMBL25855007 0.87 MAPK1 (0.43) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25860215 0.86 MAPK1 (0.47) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25859888 0.86 MAPK1 (0.42) MAPK1KDM4EATMTYMSALDH1A1
SCHEMBL25841647 0.86 MAPK1 (0.46) MAPK1KDM4EATMTYMSALDH1A1

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