SCHEMBL25504263

SCHEMBL25504263

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7c(ccc8ccccc87)c6)nc(-c6ccc7c(ccc8oc9ccccc9c87)c6)n5)c34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HCRTR1 O43613 1/20 0.37
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AHR P35869 2/20 0.34

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
SCHEMBL25504262 0.98 TDP1 (0.38) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25504261 0.98 HCRTR1 (0.39) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25504265 0.98 HCRTR1 (0.39) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25505224 0.97 HCRTR1 (0.37) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25502572 0.97 HCRTR1 (0.37) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL23820752 0.96 TDP1 (0.39) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25504264 0.96 HCRTR1 (0.36) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25504334 0.95 HCRTR1 (0.37) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL23821391 0.95 CYP1B1 (0.38) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1
SCHEMBL25504333 0.95 TDP1 (0.37) TDP1L3MBTL1HCRTR1CYP1A1CYP1B1

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