SCHEMBL28422580

SCHEMBL28422580

O=c1cc(-c2ccccc2)oc2cc(O)cc(F)c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 10/20 0.74
▸ MAPT P10636 8/20 0.74
▸ FTO Q9C0B1 7/20 0.74
▸ CYP3A4 P08684 6/20 0.74
▸ CYP1A2 P05177 5/20 0.74
▸ CYP1B1 Q16678 5/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ KMT2A Q03164 5/20 0.74
▸ CYP1A1 P04798 4/20 0.74
▸ SMN1; SMN2 Q16637 4/20 0.74
▸ GABRP O00591 4/20 0.74
▸ GABRD O14764 4/20 0.74
▸ CYP2C9 P11712 4/20 0.74
▸ GABRA1 P14867 4/20 0.74
▸ GABRB1 P18505 4/20 0.74
▸ GABRG2 P18507 4/20 0.74
▸ GABRB3 P28472 4/20 0.74
▸ GABRA5 P31644 4/20 0.74
▸ CYP2C19 P33261 4/20 0.74

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
Chrysin SCHEMBL3453735 0.85 MAPT (1.00) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL29383577 0.85 MAPT (1.00) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL44474 0.85 MAPT (1.00) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL28150701 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL28107440 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL27736782 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL10809371 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL29183315 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL28879361 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2
Chrysin SCHEMBL29183306 0.84 MAPT (0.97) ABCB1MAPTFTOCYP3A4CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251201-B anti-HBV nitrogen-containing heterocyclic compound 深圳市第二人民医院 2020-06-02 — — CN claimed
CN-109251201-B anti-HBV nitrogen-containing heterocyclic compound 深圳市第二人民医院 2020-06-02 — — CN disclosed
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