SCHEMBL8934571

SCHEMBL8934571

COc1ccc(-c2cc(=O)c3cc(Br)ccc3o2)cc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 9/20 0.82
CSNK2B P67870 9/20 0.82
CSNK2A1 P68400 9/20 0.82
GABRP O00591 4/20 0.67
GABRD O14764 4/20 0.67
GABRA1 P14867 4/20 0.67
GABRB1 P18505 4/20 0.67
GABRG2 P18507 4/20 0.67
GABRB3 P28472 4/20 0.67
GABRA5 P31644 4/20 0.67
GABRA3 P34903 4/20 0.67
GABRA2 P47869 4/20 0.67
GABRB2 P47870 4/20 0.67
GABRA4 P48169 4/20 0.67
GABRE P78334 4/20 0.67
GABRA6 Q16445 4/20 0.67
GABRG1 Q8N1C3 4/20 0.67
GABRG3 Q99928 4/20 0.67
GABRQ Q9UN88 4/20 0.67
FYN P06241 1/20 0.65

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
SCHEMBL15265120 0.89 CSNK2A2 (0.80) CSNK2A2CSNK2BCSNK2A1GABRPGABRD
SCHEMBL8934505 0.85 CYP1A1 (0.69) CSNK2A2CSNK2BCSNK2A1FYNESR2
SCHEMBL5320080 0.84 KDM4E (0.81) CSNK2A2CSNK2BCSNK2A1FYNESR2
SCHEMBL4990151 0.81 GABRP (1.00) CSNK2A2CSNK2BCSNK2A1GABRPGABRD
SCHEMBL30960382 0.80 TNKS (0.71) CSNK2A2CSNK2BCSNK2A1FYNESR2
SCHEMBL1744293 0.80 TNKS (0.71) CSNK2A2CSNK2BCSNK2A1FYNESR2
SCHEMBL29435863 0.80 CSNK2A2 (0.81) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1B1
SCHEMBL26117897 0.80 CSNK2A2 (0.81) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1B1
SCHEMBL4988784 0.79 MAPT (0.77) CSNK2A2CSNK2BCSNK2A1GABRPGABRD
SCHEMBL18613228 0.79 FYN (1.00) CSNK2A2CSNK2BCSNK2A1FYNESR2

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-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed