SCHEMBL25920240

SCHEMBL25920240

CCc1ccc(-n2c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-n6c7ccccc7c7cc(CC)ccc76)ccc54)cc3c3cccnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.35
PDE10A Q9Y233 5/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PTGER4 P35408 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL25920238 0.89 KAT2B (0.37) NPY5RPDE10APGRRORARORC
SCHEMBL25925775 0.87 ALDH1A1 (0.39) NPY5RPDE4APDE4BPDE4CPDE4D
SCHEMBL25920239 0.85 AKT1 (0.36) NPY5RPDE10A
SCHEMBL25920419 0.85 KAT2B (0.38) NPY5RPDE10ARORARORCRORB
SCHEMBL25920150 0.83 TSPO (0.40) NPY5RPGRRORARORCRORB
SCHEMBL25920232 0.83 TSPO (0.39) NPY5RPGRRORARORCRORB
SCHEMBL25920423 0.83 AKT1 (0.38) NPY5RPDE10A
SCHEMBL24224748 0.82 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DRAC2
SCHEMBL24224740 0.82 ALDH1A1 (0.38) PDE4APDE4BPDE4CPDE4DRAC2
SCHEMBL25920640 0.82 PDE10A (0.33) PDE10AMAPTTP53

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