SCHEMBL24046921

SCHEMBL24046921

COc1ccc2c(=O)cc(-c3ccc(C#N)cc3)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.77
▸ CYP3A4 P08684 7/20 0.70
▸ KDM4E B2RXH2 6/20 0.70
▸ ALDH1A1 P00352 6/20 0.70
▸ MAPT P10636 6/20 0.70
▸ TP53 P04637 5/20 0.70
▸ HPGD P15428 5/20 0.70
▸ HSD17B10 Q99714 4/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ CYP2C9 P11712 3/20 0.70
▸ CYP2C19 P33261 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ TNKS O95271 4/20 0.69
▸ CYP19A1 P11511 1/20 0.69
▸ ABCB1 P08183 2/20 0.64
▸ TNKS2 Q9H2K2 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ USP2 O75604 1/20 0.64

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
SCHEMBL31238531 0.88 MAPT (0.72) MAOBCYP3A4KDM4EALDH1A1MAPT
4,7-Dimethoxyflavone SCHEMBL3470601 0.87 MAOB (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL30674795 0.82 MAOB (0.83) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL30674786 0.82 MAOB (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL30266579 0.82 CYP3A4 (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL312254 0.82 CYP3A4 (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL9142214 0.82 MAOB (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL7656355 0.82 MAOB (0.83) MAOBCYP3A4KDM4EALDH1A1MAPT
7-Methoxyflavone SCHEMBL1373009 0.82 TNKS (1.00) MAOBCYP3A4KDM4EALDH1A1MAPT
SCHEMBL24046925 0.82 MAOB (0.64) MAOBCYP3A4KDM4EALDH1A1MAPT

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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