SCHEMBL25854235

SCHEMBL25854235

c1ccc(C2(c3ccc(-c4ccc5cccc6c5c4Oc4ccccc4-6)cc3)c3ccccc3-c3cc4ccccc4cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
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

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
SCHEMBL25859735 0.94 MAPK1 (0.40) KDM4EMAPK1ATMALDH1A1TP53
SCHEMBL25855643 0.93 KDM4E (0.43) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25854551 0.93 KDM4E (0.37) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25859642 0.91 MAPK1 (0.41) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25842882 0.91 KDM4E (0.41) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25843523 0.90 KDM4E (0.40) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25854234 0.89 KDM4E (0.40) KDM4EMAPK1ATMMEN1LMNA
SCHEMBL25842352 0.89 MAPK1 (0.41) KDM4EMAPK1ATMALDH1A1TP53
SCHEMBL25859644 0.89 MAPK1 (0.41) KDM4EMAPK1ATMALDH1A1TP53
SCHEMBL25842491 0.88 MAPK1 (0.40) KDM4EMAPK1ATMALDH1A1TP53

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