SCHEMBL24046747

SCHEMBL24046747

O=c1cc(-c2ccc(O)cc2)oc2c(-c3cccc(Cl)c3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.57
▸ CYP1A2 P05177 5/20 0.57
▸ CYP1B1 Q16678 5/20 0.57
▸ TDP1 Q9NUW8 3/20 0.56
▸ CSNK2A2 P19784 2/20 0.56
▸ CSNK2B P67870 2/20 0.56
▸ CSNK2A1 P68400 2/20 0.56
▸ PSMD14 O00487 1/20 0.56
▸ GABRP O00591 3/20 0.53
▸ GABRD O14764 3/20 0.53
▸ GABRA1 P14867 3/20 0.53
▸ GABRB1 P18505 3/20 0.53
▸ GABRG2 P18507 3/20 0.53
▸ GABRB3 P28472 3/20 0.53
▸ GABRA5 P31644 3/20 0.53
▸ GABRA3 P34903 3/20 0.53
▸ GABRA2 P47869 3/20 0.53
▸ GABRB2 P47870 3/20 0.53
▸ GABRA4 P48169 3/20 0.53
▸ GABRE P78334 3/20 0.53

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
SCHEMBL24046903 0.89 GABRP (0.52) CYP1A1CYP1A2CYP1B1TDP1CSNK2A2
SCHEMBL24046746 0.84 CYP1A1 (0.48) CYP1A1CYP1A2CYP1B1TDP1CSNK2A2
SCHEMBL21801095 0.81 TDP1 (0.64) CYP1A1CYP1A2CYP1B1TDP1CSNK2A2
SCHEMBL311865 0.78 TERT (0.68) CYP1A1CYP1A2CYP1B1TDP1CSNK2A2
SCHEMBL27676687 0.78 CYP1A2 (0.65) CYP1A1CYP1A2CYP1B1CSNK2A2CSNK2B
SCHEMBL24046901 0.76 CSNK2A2 (0.45) CYP1A1CYP1A2CYP1B1TDP1CSNK2A2
SCHEMBL6613777 0.75 TERT (0.76) CYP1A1CYP1A2CYP1B1TDP1GABRP
SCHEMBL10988521 0.74 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1GABRPGABRD
SCHEMBL10983495 0.74 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1GABRPGABRD
SCHEMBL24046989 0.74 TNKS (0.51) CYP1A1CYP1A2CYP1B1TDP1GABRP

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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