SCHEMBL25850868

SCHEMBL25850868

c1ccc2c(c1)Oc1cccc(-c3cccc4c3C3(c5ccccc5-4)c4ccccc4-c4ccc5ccccc5c43)c1C21c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HPRT1 P00492 1/20 0.32
DNMT1 P26358 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP1B1 Q16678 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
SCHEMBL25850388 0.91 KDM4E (0.36) KDM4EMAPK1ATMALDH1A1MEN1
SCHEMBL25850794 0.89 PDK2 (0.33) KDM4EMAPK1ATM
SCHEMBL25850799 0.88 MEN1 (0.34) KDM4EMAPK1ATMALDH1A1HSD17B10
SCHEMBL25850450 0.87 KDM4E (0.31) KDM4EMAPK1ATM
SCHEMBL25858619 0.85 KDM4E (0.32) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL25850331 0.85 KDM4E (0.32) KDM4EMAPK1ATMDNMT1
SCHEMBL25853717 0.85 PDK2 (0.33)
SCHEMBL25850863 0.85 KDM4E (0.31) KDM4EMAPK1ATMALDH1A1HSD17B10
SCHEMBL25850866 0.85 KDM4E (0.31) KDM4EMAPK1ATMALDH1A1HSD17B10
SCHEMBL30198267 0.83 ALDH1A1 (0.42) KDM4EMAPK1ALDH1A1HSD17B10CYP2A6

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