SCHEMBL24046842

SCHEMBL24046842

O=c1cc(CCc2ccncc2)oc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.78
▸ CYP11B1 P15538 4/20 0.76
▸ CYP11B2 P19099 3/20 0.76
▸ HTR2B P41595 2/20 0.51
▸ HTR3A P46098 1/20 0.51
▸ STS P08842 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CSNK2A2 P19784 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CSNK2B P67870 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.45
▸ CSNK2A3 Q8NEV1 1/20 0.45
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43

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
Flidersiachromone SCHEMBL5826185 0.88 PPARG (1.00) PPARGCYP11B1CYP11B2HTR2BHTR3A
Flidersiachromone SCHEMBL29408800 0.88 PPARG (1.00) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL24046843 0.85 PPARG (0.72) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL24046838 0.82 PPARG (0.78) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL8590733 0.79 PPARG (0.74) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL24227263 0.79 PPARG (0.82) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL24046786 0.78 PPARG (0.62) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL16972870 0.77 PPARG (0.74) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL292258 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2SIGMAR1KDM4E
SCHEMBL19925815 0.76 PPARG (0.69) PPARGCYP11B1CYP11B2HTR2BHTR3A

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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