SCHEMBL22272291

SCHEMBL22272291

Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.34
PARP1 P09874 1/20 0.34
GRM2 Q14416 1/20 0.33
GPR3 P46089 1/20 0.32
DNM1 Q05193 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 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
SCHEMBL23468840 0.86 TSPO (0.39) KDM4EATML3MBTL1ALDH1A1HTR6
SCHEMBL18624953 0.85 NPC1 (0.36) BCHEACHEL3MBTL1ALDH1A1POLB
SCHEMBL21420721 0.84 KDM4E (0.44) BCHEACHEKDM4EATML3MBTL1
SCHEMBL23154488 0.83 KDM4E (0.42) BCHEACHEKDM4EATML3MBTL1
SCHEMBL21446180 0.83 ALDH1A1 (0.44) ACHEKDM4EATML3MBTL1ALDH1A1
SCHEMBL24949429 0.83 BCHE (0.39) BCHEACHEKDM4EATML3MBTL1
SCHEMBL23989293 0.83 LMNA (0.44) BCHEACHEKDM4EATML3MBTL1
SCHEMBL23154500 0.81 ALDH1A1 (0.40) BCHEACHEKDM4EATML3MBTL1
SCHEMBL13304439 0.81 L3MBTL1 (0.37) KDM4EATML3MBTL1ALDH1A1POLB
SCHEMBL13304436 0.81 GSTP1 (0.40) BCHEACHEKDM4EATML3MBTL1

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-2020153542-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 솔브레인 주식회사 2020-07-30 WO disclosed