SCHEMBL25504268

SCHEMBL25504268

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7c(ccc8oc9ccccc9c87)c6)nc(-c6cccc7sc8ccccc8c67)n5)c34)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.34
S1PR4 O95977 6/20 0.34
HCRTR1 O43613 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
PRKDC P78527 1/20 0.31
BRDT Q58F21 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
SCHEMBL25502646 0.95 S1PR5 (0.33) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL23822575 0.95 S1PR5 (0.36) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL25504087 0.94 HCRTR1 (0.33) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL25503181 0.94 BRDT (0.34) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL23820932 0.93 S1PR5 (0.37) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL25504393 0.93 BRDT (0.32) HCRTR1TDP1L3MBTL1BRDT
SCHEMBL23820386 0.92 S1PR5 (0.37) S1PR5S1PR4HCRTR1TDP1L3MBTL1
SCHEMBL25503645 0.92 BRDT (0.34) S1PR5S1PR4TDP1L3MBTL1BRDT
SCHEMBL23822786 0.92 S1PR5 (0.38) S1PR5S1PR4HCRTR1PRKDCBRDT
SCHEMBL23283960 0.92 S1PR5 (0.38) S1PR5S1PR4TDP1L3MBTL1NPC1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed
WO-2023096318-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-01 WO disclosed