SCHEMBL24046790

SCHEMBL24046790

O=c1cc(CCn2cccn2)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.56
▸ CYP11B2 P19099 4/20 0.56
▸ PPARG P37231 3/20 0.55
▸ SIGMAR1 Q99720 2/20 0.48
▸ RAB9A P51151 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP19A1 P11511 2/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL30694898 0.75 PPARG (0.69) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL3715533 0.75 PPARG (0.69) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL3660694 0.73 PPARG (0.65) CYP11B1CYP11B2PPARGSIGMAR1PLA2G2A
SCHEMBL24046842 0.72 PPARG (0.78) CYP11B1CYP11B2PPARGSIGMAR1PLA2G2A
SCHEMBL19925815 0.72 PPARG (0.69) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL292258 0.72 PPARG (0.69) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL7297515 0.72 CYP11B1 (1.00) CYP11B1CYP11B2SIGMAR1CYP19A1
SCHEMBL9972758 0.72 PPARG (0.63) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL30876965 0.72 PPARG (0.63) CYP11B1CYP11B2PPARGSIGMAR1RAB9A
SCHEMBL3662892 0.72 ALOX15 (0.68) CYP11B1CYP11B2PPARGSIGMAR1CYP3A4

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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