SCHEMBL25920232

SCHEMBL25920232

CCc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(CC)cc7)ccc65)ccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.39
KDM4E B2RXH2 3/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 2/20 0.36
DNM1 Q05193 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PTGER4 P35408 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
NPY5R Q15761 1/20 0.34
HDAC4 P56524 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL25920150 0.93 TSPO (0.40) TSPOKDM4EATML3MBTL1PARP1
SCHEMBL25919772 0.88 EP300 (0.39) TSPOKDM4EATML3MBTL1PGR
SCHEMBL25937096 0.87 L3MBTL1 (0.53) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL25919267 0.87 L3MBTL1 (0.49) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL25936867 0.87 L3MBTL1 (0.49) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL25925301 0.87 L3MBTL1 (0.49) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL25938506 0.86 KDM4E (0.41) TSPOKDM4EATML3MBTL1PARP1
SCHEMBL25918822 0.85 L3MBTL1 (0.50) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL25919261 0.85 L3MBTL1 (0.50) TSPOKDM4EATML3MBTL1DNM1
SCHEMBL23118924 0.84 L3MBTL1 (0.46) TSPOKDM4EATML3MBTL1DNM1

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-2023142485-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