SCHEMBL25875938

SCHEMBL25875938

c1ccc(-c2ccc3c(c2)-c2cccc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)ccc(c24)O3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
PDK2 Q15119 3/20 0.34
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
SMAD3 P84022 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25876912 0.96 KDM4E (0.37) ATMKDM4EMAPK1PDK2
SCHEMBL25876377 0.93 ATM (0.33) ATMKDM4EMAPK1PDK2MEN1
SCHEMBL25876108 0.93 KDM4E (0.35) ATMKDM4EMAPK1PDK2
SCHEMBL25873987 0.92 KDM4E (0.36) ATMKDM4EMAPK1
SCHEMBL25877163 0.91 ALDH1A1 (0.32) PDK2MAPT
SCHEMBL25875819 0.91 KDM4E (0.35) ATMKDM4EMAPK1
SCHEMBL25877070 0.89 KDM4E (0.37) ATMKDM4EMAPK1PDK2
SCHEMBL25874623 0.88 PDK2 (0.39) ATMKDM4EMAPK1PDK2MEN1
SCHEMBL25876655 0.88 ATM (0.34) ATMKDM4EMAPK1PDK2MEN1
SCHEMBL25841666 0.87 KDM4E (0.47) ATMKDM4EMAPK1MEN1KMT2A

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