SCHEMBL24046933

SCHEMBL24046933

COc1cc(OC)c2c(=O)cc(-c3ccc(C#N)cc3)oc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.76
▸ ALDH1A1 P00352 4/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ KDM4E B2RXH2 3/20 0.70
▸ ABCG2 Q9UNQ0 2/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ PPARG P37231 1/20 0.59
▸ ABCC1 P33527 1/20 0.58
▸ MAOB P27338 7/20 0.56
▸ FLT3 P36888 2/20 0.56
▸ MKNK2 Q9HBH9 1/20 0.56
▸ IP6K2 Q9UHH9 1/20 0.56
▸ CYP19A1 P11511 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
Trimethylapigenin SCHEMBL29350875 0.87 ABCB1 (1.00) ABCB1ALDH1A1MEN1KMT2AKDM4E
Trimethylapigenin SCHEMBL1421585 0.87 ABCB1 (1.00) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28280309 0.83 ABCB1 (0.82) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29978577 0.83 ABCB1 (0.82) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22667395 0.83 ABCB1 (0.82) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17193739 0.83 ABCB1 (0.87) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL311530 0.83 ABCB1 (0.82) ABCB1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17185527 0.83 ABCB1 (0.82) ABCB1ALDH1A1MEN1KMT2AKDM4E
Chrysin Dimethyl Ether SCHEMBL1676012 0.83 ABCG2 (1.00) ABCB1ALDH1A1MEN1KMT2AKDM4E
Chrysin Dimethyl Ether SCHEMBL29403280 0.83 ABCG2 (1.00) ABCB1ALDH1A1MEN1KMT2AKDM4E

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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