SCHEMBL25504261

SCHEMBL25504261

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7c(ccc8oc9ccccc9c87)c6)n5)c34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP1A2 P05177 1/20 0.34
ABCG2 Q9UNQ0 3/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
NOTUM Q6P988 1/20 0.33
PIM1 P11309 1/20 0.33
AHR P35869 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL25504265 1.00 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1NPC1CYP2C9
SCHEMBL25504263 0.98 TDP1 (0.39) HCRTR1TDP1L3MBTL1NPC1CYP2C9
SCHEMBL25504334 0.98 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1NPC1CYP2C9
SCHEMBL25503995 0.97 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1A2
SCHEMBL25504335 0.97 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1A2
SCHEMBL25504186 0.97 ALDH1A1 (0.38) HCRTR1TDP1L3MBTL1CYP1A1CYP1A2
SCHEMBL23820752 0.96 TDP1 (0.39) HCRTR1TDP1L3MBTL1NPC1CYP2C9
SCHEMBL25503171 0.96 TDP1 (0.40) TDP1L3MBTL1NPC1CYP2C9CYP2C19
SCHEMBL25504090 0.96 ALDH1A1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1A2
SCHEMBL25504262 0.96 TDP1 (0.38) HCRTR1TDP1L3MBTL1NPC1CYP2C9

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