SCHEMBL25965004

SCHEMBL25965004

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
BACE1 P56817 1/20 0.33
TP53 P04637 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
HCRTR1 O43613 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 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
SCHEMBL25965007 0.97 KDM4E (0.35) KDM4EATML3MBTL1BACE1TP53
SCHEMBL23339339 0.96 BACE1 (0.33) KDM4EATML3MBTL1BACE1TP53
SCHEMBL21583540 0.96 BACE1 (0.33) KDM4EATML3MBTL1BACE1TP53
SCHEMBL25965323 0.95 KDM4E (0.35) KDM4EATML3MBTL1BACE1TP53
SCHEMBL24078753 0.95 KDM4E (0.33) KDM4EATML3MBTL1BACE1RXFP1
SCHEMBL24390275 0.94 PDE10A (0.32) BACE1TP53PDE10AHCRTR1
SCHEMBL21583542 0.94 KDM4E (0.37) KDM4EATML3MBTL1BACE1TP53
SCHEMBL24078212 0.93 KDM4E (0.35) KDM4EATML3MBTL1BACE1
SCHEMBL23339337 0.93 BACE1 (0.34) KDM4EATML3MBTL1BACE1ALDH1A1
SCHEMBL21583554 0.93 KDM4E (0.36) KDM4EATML3MBTL1BACE1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed