SCHEMBL25868641

SCHEMBL25868641

c1ccc2c(c1)-c1cc3ccccc3cc1C21c2ccccc2-c2c(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)cc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL25842477 0.96 MAPK1 (0.47) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25868721 0.94 MAPK1 (0.50) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25868636 0.92 KDM4E (0.48) MAPK1KDM4EATMTYMS
SCHEMBL25868729 0.92 MAPK1 (0.48) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25842556 0.92 MAPK1 (0.50) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25859971 0.91 MAPK1 (0.49) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25842356 0.91 MAPK1 (0.49) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25841804 0.90 MAPK1 (0.53) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25870082 0.89 MAPK1 (0.47) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25870022 0.89 MAPK1 (0.49) MAPK1KDM4EATMALDH1A1TP53

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