SCHEMBL28065503

SCHEMBL28065503

O=c1cc(C(F)(F)F)c2ccc(O)c(O)c2o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.73
CSNK2B P67870 1/20 0.73
CSNK2A1 P68400 1/20 0.73
MET P08581 1/20 0.65
MCL1 Q07820 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MGAM O43451 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
SI P14410 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
MGAM2 Q2M2H8 1/20 0.59
HSD17B3 P37058 1/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56

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
SCHEMBL9135495 0.84 CSNK2A2 (0.69) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
SCHEMBL27986597 0.84 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1METMCL1
SCHEMBL5351976 0.79 MET (1.00) METMCL1ALDH1A1GAAKDM4E
SCHEMBL1594333 0.79 CSNK2A2 (0.61) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
4-Methyldaphnetin SCHEMBL1065373 0.75 MCL1 (1.00) METMCL1ALDH1A1GAAKDM4E
4-Methyldaphnetin SCHEMBL29671915 0.75 MCL1 (1.00) METMCL1ALDH1A1GAAKDM4E
SCHEMBL15842835 0.75 CYP1A2 (0.56) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
SCHEMBL1448400 0.74 ERAP1 (0.69) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
SCHEMBL18460961 0.74 MAOB (0.63) CSNK2A2CSNK2BCSNK2A1MCL1ALDH1A1
SCHEMBL8570582 0.73 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1METMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524034-B Preparation, pharmacological action and the application for treating cerebral ischemia of coumarin derivative 北京大学 2018-08-17 CN disclosed
CN-105566269-B Preparation, pharmacological action and the application for treating itch of coumarin derivative 北京大学 2018-07-10 CN disclosed
CN-105566269-A Preparation and pharmacological effects of coumarin derivative and application of coumarin derivative to treatment on pruritus UNIV BEIJING 2016-05-11 CN disclosed
CN-105524034-A Preparation method of coumarin derivative, pharmacological effect of coumarin derivative and use of coumarin derivative in treatment on cerebral ischemia UNIV BEIJING 2016-04-27 CN disclosed
CN-105524034-A Preparation method of coumarin derivative, pharmacological effect of coumarin derivative and use of coumarin derivative in treatment on cerebral ischemia UNIV BEIJING 2016-04-27 CN disclosed