SCHEMBL30744132

SCHEMBL30744132

COC(=O)C1CC(OCCOc2ccc(-c3cc(=O)c4cccc(Cl)c4o3)cc2C#N)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 3/20 0.36
▸ CSNK2B P67870 3/20 0.36
▸ CSNK2A1 P68400 3/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ XDH P47989 2/20 0.34
▸ TERT O14746 3/20 0.34

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
SCHEMBL21801223 1.00 CSNK2A2 (0.36) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801261 0.91 SIGMAR1 (0.38) SIGMAR1XDH
SCHEMBL21865648 0.89 TERT (0.41) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL22232647 0.89 ABCB1 (0.45) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801253 0.88 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL26677815 0.87 SIGMAR1 (0.35) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801161 0.87 SIGMAR1 (0.37) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL24605429 0.83 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL22245048 0.83 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL24605428 0.83 CYP1A1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2

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
CN-112601743-B Flavone compounds for the treatment and prevention of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2023-12-19 — — CN disclosed
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