SCHEMBL25850886

SCHEMBL25850886

c1cc(-c2ccc(-c3ccc4oc5cc(-c6nc(-c7ccc8ccccc8c7)nc(-c7cccc8oc9ccccc9c78)n6)c6ccccc6c5c4c3)cc2)cc(-c2nc(-c3cc4oc5ccccc5c4c4ccccc34)nc(-c3cccc4oc5ccccc5c34)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
PLA2G10 O15496 1/20 0.36
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
PGR P06401 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP1A2 P05177 3/20 0.33
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 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
SCHEMBL23820349 0.94 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL25850887 0.93 ALDH1A1 (0.35) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL23821624 0.93 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL25460165 0.92 PLA2G2A (0.39) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL25847251 0.92 ALDH1A1 (0.35) CASP3SENP7SENP6HSD17B1HSD17B2
SCHEMBL25851135 0.92 PGR (0.37) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL26231402 0.92 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10ANO1PGR
SCHEMBL26231357 0.92 PLA2G2A (0.41) PLA2G2APLA2G4APLA2G10ANO1PGR
SCHEMBL23820353 0.91 PLA2G2A (0.40) PLA2G2APLA2G4APLA2G10CASP3SENP7
SCHEMBL23821988 0.91 PLA2G2A (0.39) PLA2G2APLA2G4APLA2G10CASP3SENP7

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