SCHEMBL24046785

SCHEMBL24046785

COc1ccc2c(=O)cc(-c3ccc(O)c(C#Cc4ccccc4)c3)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 4/20 0.64
▸ CSNK2B P67870 4/20 0.64
▸ CSNK2A1 P68400 4/20 0.64
▸ TNKS O95271 3/20 0.62
▸ CYP19A1 P11511 1/20 0.62
▸ CYP3A4 P08684 6/20 0.60
▸ KDM4E B2RXH2 6/20 0.60
▸ HPGD P15428 5/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ CYP2C9 P11712 4/20 0.60
▸ CYP2C19 P33261 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ TP53 P04637 4/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ CYP2D6 P10635 3/20 0.60
▸ MAOB P27338 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ MAPK1 P28482 3/20 0.58

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
SCHEMBL24046781 0.90 CSNK2A2 (0.62) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL24046784 0.88 CSNK2A2 (0.58) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL24046795 0.87 TNKS (0.61) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL24046782 0.84 CSNK2A2 (0.71) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL4160578 0.81 CSNK2A2 (0.81) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
7-Methoxyflavone SCHEMBL1373009 0.78 TNKS (1.00) TNKSCYP19A1CYP3A4KDM4EHPGD
SCHEMBL24046914 0.78 CSNK2A2 (0.76) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL24046783 0.77 MAOB (0.55) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL29435863 0.76 CSNK2A2 (0.81) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1
SCHEMBL26117897 0.76 CSNK2A2 (0.81) CSNK2A2CSNK2BCSNK2A1TNKSCYP19A1

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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