SCHEMBL25875941

SCHEMBL25875941

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3ccc4c5c(cccc35)-c3cc5ccccc5cc3O4)cccc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
TYMS P04818 1/20 0.31
CES1 P23141 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
SCHEMBL25876379 0.92 MAPK1 (0.37) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25877165 0.91 MAPK1 (0.33) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25842359 0.90 MAPK1 (0.46) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25876824 0.88 MAPK1 (0.35) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25875818 0.87 ESR1 (0.34) MAPK1KDM4EATMTYMS
SCHEMBL25842977 0.87 MAPK1 (0.50) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25841666 0.86 KDM4E (0.47) MAPK1KDM4EATMTYMS
SCHEMBL25874626 0.86 MAPK1 (0.36) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25868417 0.86 MAPK1 (0.49) MAPK1KDM4EATMALDH1A1HPGD
SCHEMBL25868549 0.85 KDM4E (0.46) MAPK1KDM4EATMTYMS

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