SCHEMBL25919772

SCHEMBL25919772

CCCCc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6cc(-c7ccc(CCCC)cc7)ccc65)ccc43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
TSPO P30536 3/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
HSD11B1 P28845 3/20 0.37
UCHL3 P15374 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
DHODH Q02127 1/20 0.35
CNR2 P34972 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 1/20 0.34
RARB P10826 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
SCHEMBL25919845 0.94 AKR1C4 (0.39) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL17228089 0.91 HSD11B1 (0.43) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL25920419 0.90 KAT2B (0.38) EP300KAT2AKAT2BTSPOHSD11B1
SCHEMBL25920232 0.88 TSPO (0.39) TSPORORARORCRORBKDM4E
SCHEMBL27050238 0.88 HSD11B1 (0.42) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL26705342 0.88 TSPO (0.42) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL20313194 0.86 RORA (0.45) TSPOCTSVCTSLHSD11B1RORA
SCHEMBL25810727 0.86 EP300 (0.45) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL26705774 0.86 KDM4E (0.45) EP300KAT2AKAT2BTSPOCTSV
SCHEMBL10067556 0.85 RORA (0.47) EP300KAT2AKAT2BTSPOCTSV

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