SCHEMBL24314952

SCHEMBL24314952

C1=Cc2c(oc3c(-c4cccc5oc6ccccc6c45)ccc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)c23)CC1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25846679 0.89
SCHEMBL25838179 0.87 TSHR (0.32) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24314671 0.86 TSHR (0.31) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL23821431 0.84 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26380975 0.83 MAPT (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26043063 0.83 TSHR (0.33) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24314470 0.83 ALOX5 (0.31)
SCHEMBL23816523 0.82 ALDH1A1 (0.37) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23821452 0.82 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23821453 0.82 ALDH1A1 (0.42) ALDH1A1HPGDTSHRMAPK1CASP1

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
EP-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 EP disclosed