SCHEMBL25868729

SCHEMBL25868729

c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc5c(c4)-c4cccc6cccc(c46)O5)cc3)cc1C21c2ccccc2-c2cc3ccccc3cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
PDK2 Q15119 17/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TYMS P04818 1/20 0.35

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
SCHEMBL25859971 0.99 MAPK1 (0.49) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25842356 0.99 MAPK1 (0.49) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25870082 0.97 MAPK1 (0.47) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25868277 0.95 MAPK1 (0.48) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25842556 0.95 MAPK1 (0.50) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25868731 0.95 MAPK1 (0.53) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25841659 0.94 MAPK1 (0.54) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25868641 0.92 MAPK1 (0.45) MAPK1KDM4EATMALDH1A1TP53
SCHEMBL25870084 0.92 MAPK1 (0.51) MAPK1KDM4EATMPDK2ALDH1A1
SCHEMBL25878905 0.92 MAPK1 (0.51) MAPK1KDM4EATMPDK2ALDH1A1

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