SCHEMBL24046768

SCHEMBL24046768

Cc1cc(C)c2c(=O)cc(-c3ccc(O)cn3)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 5/20 0.51
▸ CSNK2B P67870 5/20 0.51
▸ CSNK2A1 P68400 5/20 0.51
▸ ADORA3 P0DMS8 2/20 0.43
▸ ESR1 P03372 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ QPCT Q16769 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ IP6K2 Q9UHH9 2/20 0.40
▸ GABRP O00591 2/20 0.40
▸ GABRD O14764 2/20 0.40

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
SCHEMBL312653 0.77 AR (0.63) ESR1ESR2KMT2AMEN1ATM
SCHEMBL24046890 0.76 ABCB1 (0.60) ADORA3KMT2AMEN1MAPTTP53
SCHEMBL311280 0.74 HPGD (0.61) QPCTKMT2AMEN1MAPTTP53
SCHEMBL311667 0.74 CYP3A4 (0.61) CSNK2A2CSNK2BCSNK2A1ESR2QPCT
SCHEMBL312714 0.73 TNKS (0.62) ADORA3KMT2AMEN1MAPTTP53
SCHEMBL28568538 0.71 CYP3A4 (0.72) CSNK2A2CSNK2BCSNK2A1ADORA3KMT2A
SCHEMBL13598259 0.70 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1ADORA3QPCT
SCHEMBL24046861 0.70 KDM4E (0.69) CSNK2A2CSNK2BCSNK2A1KMT2AMEN1
SCHEMBL13479744 0.70 CSNK2A2 (0.64) CSNK2A2CSNK2BCSNK2A1ADORA3QPCT
SCHEMBL14749128 0.70 MAPT (0.73) CSNK2A2CSNK2BCSNK2A1ADORA3ESR1

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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