SCHEMBL24046902

SCHEMBL24046902

C#Cc1cc(-c2cc(=O)c3ccccc3o2)ccc1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 10/20 0.64
▸ PLA2G2A P14555 4/20 0.58
▸ PLA2G4A P47712 4/20 0.58
▸ PARP1 P09874 5/20 0.55
▸ TNKS2 Q9H2K2 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ GABRP O00591 5/20 0.55
▸ GABRD O14764 5/20 0.55
▸ GABRA1 P14867 5/20 0.55
▸ GABRB1 P18505 5/20 0.55
▸ GABRG2 P18507 5/20 0.55
▸ GABRB3 P28472 5/20 0.55
▸ GABRA5 P31644 5/20 0.55
▸ GABRA3 P34903 5/20 0.55
▸ GABRA2 P47869 5/20 0.55
▸ GABRB2 P47870 5/20 0.55
▸ GABRA4 P48169 5/20 0.55
▸ GABRE P78334 5/20 0.55
▸ GABRA6 Q16445 5/20 0.55
▸ GABRG1 Q8N1C3 5/20 0.55

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
SCHEMBL24046864 0.83 TNKS (0.71) TNKSPLA2G2APLA2G4APARP1TNKS2
SCHEMBL24046794 0.82 MAOB (0.63) TNKSTNKS2SMN1; SMN2HPGDCYP3A4
SCHEMBL24046904 0.80 TNKS (0.61) TNKSPLA2G2APLA2G4APARP1TNKS2
SCHEMBL24046895 0.78 TNKS (1.00) TNKSPLA2G2APLA2G4APARP1TNKS2
SCHEMBL24046787 0.76 CSNK2A2 (0.53) TNKSPARP1TNKS2SMN1; SMN2HPGD
Flavone SCHEMBL1660769 0.74 TNKS (0.96) TNKSPLA2G2APLA2G4APARP1TNKS2
SCHEMBL24047002 0.73 MAPT (0.59) SMN1; SMN2CYP3A4NPC1RAB9AABCB1
SCHEMBL23070093 0.73 TNKS (0.93) TNKSPLA2G2APLA2G4APARP1TNKS2
Flavone SCHEMBL28635083 0.73 TNKS (0.93) TNKSPLA2G2APLA2G4APARP1TNKS2
Flavone SCHEMBL29695444 0.73 TNKS (0.93) TNKSPLA2G2APLA2G4APARP1TNKS2

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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