SCHEMBL21865746

SCHEMBL21865746

O=c1cc(-c2ccc(OCCO)c(Cl)c2)oc2c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 4/20 0.44
▸ CSNK2B P67870 4/20 0.44
▸ CSNK2A1 P68400 4/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ CYP1A1 P04798 4/20 0.43
▸ CYP1B1 Q16678 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42
▸ TERT O14746 5/20 0.41

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
SCHEMBL21865645 0.90 CYP1B1 (0.46) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21886454 0.89 ABCB1 (0.47) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801153 0.86 ABCB1 (0.53) ABCB1ABCC1ABCG2CYP1A1CYP1B1
SCHEMBL30744133 0.83 ABCB1 (0.58) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801245 0.83 ABCB1 (0.58) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1
SCHEMBL21801308 0.82 ABCB1 (0.52) ABCB1ABCC1ABCG2CYP1A1CYP1B1
SCHEMBL21801155 0.82 SIGMAR1 (0.41) CSNK2A2CSNK2BCSNK2A1SIGMAR1
SCHEMBL21801157 0.82 SIGMAR1 (0.41) CSNK2A2CSNK2BCSNK2A1SIGMAR1
SCHEMBL30629641 0.82 SIGMAR1 (0.41) CSNK2A2CSNK2BCSNK2A1SIGMAR1
SCHEMBL21886510 0.79 ABCC1 (0.47) CSNK2A2CSNK2BCSNK2A1ABCB1ABCC1

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-2020053249-A1 FLAVONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 — — WO disclosed
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