SCHEMBL25938151

SCHEMBL25938151

Cc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5cccc(-n6c7ccc(C)cc7c7cc(C)ccc76)c5)ccc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSPO P30536 2/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 1/20 0.34
PDE10A Q9Y233 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MAPT P10636 3/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
ENPP3 O14638 1/20 0.32

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
SCHEMBL26480955 0.98 KDM4E (0.40) KDM4EATML3MBTL1TSPOLMNA
SCHEMBL25920073 0.96 KDM4E (0.39) KDM4EATML3MBTL1TSPOLMNA
SCHEMBL25920075 0.96 KDM4E (0.39) KDM4EATML3MBTL1TSPOLMNA
SCHEMBL25920149 0.95 KDM4E (0.40) KDM4EATML3MBTL1TSPOLMNA
SCHEMBL26480969 0.93 KDM4E (0.38) KDM4EATML3MBTL1TSPOLMNA
SCHEMBL25920143 0.90 KDM4E (0.41) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL26480994 0.90 ATM (0.46) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL26480952 0.90 ATM (0.46) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL26480993 0.90 ATM (0.46) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL26480950 0.90 ATM (0.46) KDM4EATML3MBTL1TSPOALDH1A1

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-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed