SCHEMBL28614755

SCHEMBL28614755

O=C(OOc1cc(-c2cc(=O)c3cccc(Cl)c3o2)ccc1C(F)(F)F)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 7/20 0.38
▸ CSNK2B P67870 7/20 0.38
▸ CSNK2A1 P68400 7/20 0.38
▸ CYP1A2 P05177 4/20 0.37
▸ CYP1A1 P04798 3/20 0.37
▸ CYP1B1 Q16678 3/20 0.37
▸ ABCC1 P33527 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ TERT O14746 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL28619632 0.86 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL28623674 0.86 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22230875 0.80 CSNK2A2 (0.53) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL28614752 0.80 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231443 0.79 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231445 0.79 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231472 0.79 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231939 0.79 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231391 0.79 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1
SCHEMBL22231502 0.78 TERT (0.50) CSNK2A2CSNK2BCSNK2A1CYP1A2CYP1A1

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-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
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