SCHEMBL24948846

SCHEMBL24948846

Clc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.39
OPRK1 P41145 4/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S100A4 P26447 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
BRD4 O60885 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36

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
SCHEMBL24948304 0.88 S100A4 (0.40) APAF1OPRK1NR1I2ADORA3HTR2C
SCHEMBL27012205 0.88 IDO1 (0.39) APAF1OPRK1NR1I2ADORA3HTR2C
SCHEMBL30724560 0.88 S100A4 (0.40) APAF1OPRK1NR1I2ADORA3HTR2C
SCHEMBL21147245 0.88 APAF1 (0.46) APAF1OPRK1NR1I2ADORA3HTR2C
SCHEMBL27012207 0.87 APAF1 (0.40) APAF1OPRK1NR1I2ADORA3HTR2C
SCHEMBL25000011 0.86 S100A4 (0.38) APAF1OPRK1KDM4EATML3MBTL1
SCHEMBL24948911 0.84 IDO1 (0.46) APAF1KDM4EATML3MBTL1IDO1
SCHEMBL24949429 0.83 BCHE (0.39) PTGS2KDM4EATML3MBTL1ALDH1A1
SCHEMBL30724557 0.81 DNM1 (0.40) APAF1OPRK1KDM4EATML3MBTL1
SCHEMBL30724559 0.81 DNM1 (0.38) APAF1OPRK1ATML3MBTL1S100A4

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
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed