SCHEMBL25850641

SCHEMBL25850641

c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)ccc1C21c2ccccc2-c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL25864078 1.00 PDK2 (0.31) PDK2KDM4EATMMAPK1ALDH1A1
SCHEMBL25850449 0.95 KDM4E (0.31) KDM4EATMMAPK1ALDH1A1CYP1A2
SCHEMBL25866175 0.94 KDM4E (0.32) PDK2KDM4EATMMAPK1ALDH1A1
SCHEMBL25864081 0.93 PDK2 (0.31) PDK2
SCHEMBL25850637 0.93 PDK2 (0.31) PDK2KDM4E
SCHEMBL25871092 0.93 PDK2 (0.33) PDK2KDM4EATMMAPK1ALDH1A1
SCHEMBL25850633 0.92 PDK2 (0.31) PDK2
SCHEMBL25867949 0.92 PDK2 (0.31) PDK2
SCHEMBL25873439 0.92 PDK2 (0.33) PDK2KDM4EATMMAPK1ALDH1A1
SCHEMBL25879342 0.92 KDM4E (0.32) PDK2KDM4EATMMAPK1ALDH1A1

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