SCHEMBL28050773

SCHEMBL28050773

CCc1ccc(-c2cc(=O)c3ccccc3o2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.73
PLA2G4A P47712 3/20 0.73
TNKS O95271 12/20 0.70
PARP1 P09874 4/20 0.70
TNKS2 Q9H2K2 4/20 0.70
MAOB P27338 2/20 0.70
PARP2 Q9UGN5 2/20 0.70
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NPC1 O15118 3/20 0.69
HPGD P15428 3/20 0.69
CYP3A4 P08684 3/20 0.69
GABRP O00591 2/20 0.69
GABRD O14764 2/20 0.69
GABRA1 P14867 2/20 0.69
GABRB1 P18505 2/20 0.69
GABRG2 P18507 2/20 0.69
GABRB3 P28472 2/20 0.69
GABRA5 P31644 2/20 0.69
GABRA3 P34903 2/20 0.69

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
SCHEMBL10454554 0.86 CSNK2A2 (0.67) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL28306223 0.85 PLA2G2A (0.73) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL28256218 0.85 PLA2G2A (0.64) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL22166376 0.84 PLA2G2A (0.68) PLA2G2APLA2G4ATNKSPARP1TNKS2
Flavone SCHEMBL22977569 0.83 TNKS (0.81) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL7593917 0.83 TNKS (1.00) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL13831363 0.82 PLA2G2A (0.69) PLA2G2APLA2G4ATNKSPARP1TNKS2
SCHEMBL23070093 0.82 TNKS (0.93) PLA2G2APLA2G4ATNKSPARP1TNKS2
Flavone SCHEMBL15676601 0.82 TNKS (1.00) PLA2G2APLA2G4ATNKSPARP1TNKS2
Flavone SCHEMBL30542161 0.82 TNKS (1.00) PLA2G2APLA2G4ATNKSPARP1TNKS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632194-B The method that Benzofurantone compound is prepared as CO source of release using iron pentacarbonyl 陕西师范大学 2018-12-07 CN disclosed
CN-105175375-B The method that the acetylenic ketone protected using acetoxyl group prepares Benzofurantone compound 陕西师范大学 2017-07-11 CN disclosed
CN-106632194-A Method for preparing benzopyrone compound through adopting pentacarbonyl iron as CO release source 陕西师范大学 2017-05-10 CN disclosed
CN-105175375-A Method for preparing benzopyrone compounds through adopting acetoxy protected alkynyl ketone UNIV SHAANXI NORMAL 2015-12-23 CN disclosed