SCHEMBL25848197

SCHEMBL25848197

c1ccc2cc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7ccc8ccccc8c7c6)nc(-c6ccc7ccc8oc9ccccc9c8c7c6)n5)c34)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
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
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 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
SCHEMBL25502572 0.98 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25502645 0.98 HCRTR1 (0.38) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25502570 0.98 HCRTR1 (0.38) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25504262 0.97 TDP1 (0.38) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL23819412 0.97 HCRTR1 (0.39) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25848629 0.96 HCRTR1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL23822159 0.95 CYP1B1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25502642 0.95 HCRTR1 (0.35) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25502566 0.94 ALDH1A1 (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1
SCHEMBL25502372 0.94 PLA2G2A (0.37) HCRTR1TDP1L3MBTL1CYP1A1CYP1B1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed