SCHEMBL23819652

SCHEMBL23819652

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-c6ccc7c(ccc8c9ccccc9sc78)c6)ccc5c34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 6/20 0.39
ALOX5 P09917 1/20 0.37
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HCRTR1 O43613 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CB P42338 2/20 0.32
S1PR5 Q9H228 3/20 0.31
S1PR4 O95977 2/20 0.31
ESR2 Q92731 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
F9 P00740 1/20 0.31
SLC9A1 P19634 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL24122814 0.96 ALOX5 (0.39) PRKDCALOX5CYP1A1CYP1B1MAPT
SCHEMBL23819373 0.94 PRKDC (0.39) PRKDCALOX5CYP1A1CYP1B1HCRTR1
SCHEMBL23819657 0.93 PRKDC (0.43) PRKDCALOX5MAPTPIK3CDPIK3CB
SCHEMBL23820397 0.92 PRKDC (0.40) PRKDCALOX5HCRTR1MAPTPIK3CD
SCHEMBL25627730 0.92 PRKDC (0.43) PRKDCALOX5HCRTR1MAPTPIK3CD
SCHEMBL25627732 0.92 PRKDC (0.43) PRKDCALOX5HCRTR1MAPTPIK3CD
SCHEMBL22329531 0.92 PRKDC (0.44) PRKDCALOX5MAPTPIK3CDPIK3CB
SCHEMBL23821506 0.91 PRKDC (0.39) PRKDCALOX5CYP1A1CYP1B1MAPT
SCHEMBL23822713 0.91 PRKDC (0.44) PRKDCALOX5HCRTR1MAPTPIK3CD
SCHEMBL24314512 0.91 PRKDC (0.44) PRKDCALOX5CYP1A1CYP1B1MAPT

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-2021182833-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-09-16 WO disclosed