SCHEMBL28670207

SCHEMBL28670207

COc1ccc(-c2oc3ccc(F)cc3c2-c2c(O)c(C)nn(C)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 4/20 0.43
APAF1 O14727 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL28663637 0.85 MAPT (0.41) CSNK2A2CSNK2BCSNK2A1KDM4EAPAF1
SCHEMBL22499948 0.81 KDM4E (0.43) CSNK2A2CSNK2BCSNK2A1KDM4EAPAF1
SCHEMBL5043660 0.76 CSNK2A2 (0.75) CSNK2A2CSNK2BCSNK2A1KDM4ETSHR
SCHEMBL28659825 0.76 ALDH1A1 (0.43) KDM4ETSHRMAOBALDH1A1MAPT
SCHEMBL17224797 0.72 ALDH1A1 (0.43) KDM4ETSHRL3MBTL1MAOBALDH1A1
SCHEMBL17224801 0.70 XDH (0.49) KDM4EMAOBALDH1A1MAPTMEN1
SCHEMBL17224757 0.70 NQO1 (0.42) CSNK2A2CSNK2BCSNK2A1KDM4EMAOB
SCHEMBL22499952 0.70 ABCG2 (0.45) KDM4ETSHRL3MBTL1MAOBALDH1A1
SCHEMBL25199057 0.69 ESR1 (0.34) KDM4EAPAF1HSP90AA1HSP90AB1TSHR
SCHEMBL28661730 0.69 GPR139 (0.35) HSP90AA1BACE1

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-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed