SCHEMBL24046906

SCHEMBL24046906

O=C(O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 11/20 0.65
▸ PARP1 P09874 5/20 0.60
▸ TNKS2 Q9H2K2 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ GABRP O00591 5/20 0.60
▸ GABRD O14764 5/20 0.60
▸ GABRA1 P14867 5/20 0.60
▸ GABRB1 P18505 5/20 0.60
▸ GABRG2 P18507 5/20 0.60
▸ GABRB3 P28472 5/20 0.60
▸ GABRA5 P31644 5/20 0.60
▸ GABRA3 P34903 5/20 0.60
▸ GABRA2 P47869 5/20 0.60
▸ GABRB2 P47870 5/20 0.60
▸ GABRA4 P48169 5/20 0.60
▸ GABRE P78334 5/20 0.60
▸ GABRA6 Q16445 5/20 0.60
▸ GABRG1 Q8N1C3 5/20 0.60
▸ GABRG3 Q99928 5/20 0.60
▸ GABRQ Q9UN88 5/20 0.60

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
SCHEMBL311918 0.82 TNKS (0.76) TNKSPARP1TNKS2SMN1; SMN2GABRP
SCHEMBL24046904 0.81 TNKS (0.61) TNKSPARP1TNKS2SMN1; SMN2GABRP
SCHEMBL2032421 0.79 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP
SCHEMBL103839 0.77 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP
SCHEMBL23070093 0.77 TNKS (0.93) TNKSPARP1TNKS2SMN1; SMN2GABRP
Flavone SCHEMBL29155354 0.77 TNKS (0.93) TNKSPARP1TNKS2SMN1; SMN2GABRP
Flavone SCHEMBL31316377 0.76 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP
Flavone SCHEMBL15676601 0.76 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP
Flavone SCHEMBL18879 0.76 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP
Flavone SCHEMBL30542161 0.76 TNKS (1.00) TNKSPARP1TNKS2SMN1; SMN2GABRP

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-2021236578-A1 CHROMEN-4-ONE DERIVATIVES, SUCH AS E.G. FLAVONES, FOR USE AS CK2 INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATION SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-11-25 — — WO disclosed
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