SCHEMBL25504333

SCHEMBL25504333

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc(-c7cccc8ccccc78)cc6)nc(-c6ccc7c(ccc8oc9ccccc9c87)c6)n5)c34)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HCRTR1 O43613 1/20 0.35
PIM1 P11309 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 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
SCHEMBL25502647 0.96 HCRTR1 (0.35) TDP1L3MBTL1HCRTR1PIM1ENPP3
SCHEMBL25504088 0.95 ALDH1A1 (0.38) TDP1L3MBTL1HCRTR1ENPP3ENPP1
SCHEMBL25504334 0.95 HCRTR1 (0.37) TDP1L3MBTL1HCRTR1PIM1ALDH1A1
SCHEMBL25504263 0.95 TDP1 (0.39) TDP1L3MBTL1HCRTR1PIM1ALDH1A1
SCHEMBL25504478 0.95 TDP1 (0.39) TDP1L3MBTL1ENPP3ENPP1ALDH1A1
SCHEMBL25503306 0.94 TDP1 (0.41) TDP1L3MBTL1ENPP3ENPP1ALDH1A1
SCHEMBL23821525 0.94 PIM1 (0.37) TDP1L3MBTL1HCRTR1PIM1ENPP3
SCHEMBL25504261 0.94 HCRTR1 (0.39) TDP1L3MBTL1HCRTR1PIM1MAPT
SCHEMBL25504265 0.94 HCRTR1 (0.39) TDP1L3MBTL1HCRTR1PIM1MAPT
SCHEMBL25850894 0.94 HCRTR1 (0.35) TDP1L3MBTL1HCRTR1PIM1ENPP3

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