SCHEMBL24972796

SCHEMBL24972796

C1=CC(c2nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)nc(-c3cccc4oc5ccccc5c34)n2)=CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP11B1 P15538 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
SCHEMBL24886614 0.93 HSD17B1 (0.31) CYP11B1
SCHEMBL25640483 0.92 CYP11B1 (0.31) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24314947 0.92 CYP11B1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26067552 0.90 HCRTR1 (0.31) BACE1ALDH1A1HPGDTSHRMAPK1
SCHEMBL25854957 0.89 TDP1 (0.30) BACE1L3MBTL1
SCHEMBL25832364 0.88 CYP11B1 (0.31) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24657753 0.88 BACE1 (0.33) BACE1ALDH1A1HPGDTSHRMAPK1
SCHEMBL24314948 0.88 CYP11B1 (0.32) CYP11B1
SCHEMBL24658277 0.88 PRKDC (0.32) BACE1
SCHEMBL27293019 0.87 BACE1 (0.32) BACE1ALDH1A1TSHRMAPK1HSD17B10

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-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed