SCHEMBL24046843

SCHEMBL24046843

O=c1cc(CCc2cccnc2)oc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.72
▸ CYP11B1 P15538 2/20 0.59
▸ CYP11B2 P19099 2/20 0.59
▸ VKORC1 Q9BQB6 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ HTR2B P41595 2/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ STS P08842 1/20 0.46
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL24046842 0.85 PPARG (0.78) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
Flidersiachromone SCHEMBL5826185 0.84 PPARG (1.00) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
Flidersiachromone SCHEMBL29408800 0.84 PPARG (1.00) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
SCHEMBL24046786 0.78 PPARG (0.62) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
SCHEMBL16972870 0.77 PPARG (0.74) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
SCHEMBL24046838 0.76 PPARG (0.78) PPARGCYP11B1CYP11B2HTR2BHTR3A
SCHEMBL24227263 0.76 PPARG (0.82) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
SCHEMBL29128897 0.74 PPARG (0.71) PPARGCYP11B1VKORC1SIGMAR1HTR2B
SCHEMBL24046779 0.74 PPARG (0.57) PPARGCYP11B1CYP11B2SIGMAR1HTR2B
SCHEMBL30800378 0.74 PPARG (0.71) PPARGCYP11B1VKORC1SIGMAR1HTR2B

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
Send feedback