SCHEMBL28565448

SCHEMBL28565448

O=PC(=O)c1cccc2ccc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTPN1 P18031 1/20 0.43
CDC25B P30305 1/20 0.43
PLK1 P53350 1/20 0.43
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
WDR5 P61964 1/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL28847340 0.85 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL23698265 0.79 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2157267 0.79 NR4A1 (0.70) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30350943 0.78 KDM4E (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27668840 0.78 KDM4E (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL22281609 0.78 NR4A1 (0.52) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2883786 0.78 NR4A1 (0.52) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28522365 0.76 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL12486711 0.74 MAPT (0.54) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27877655 0.73 ALDH1A1 (0.54) NR4A1NR4A2NR4A3MMP3HDAC8

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
CN-108026060-B Heterocyclic compound and organic light emitting diode including the same 株式会社LG化学 2020-12-25 CN disclosed