SCHEMBL30533438

SCHEMBL30533438

O=C(O)c1nc2cccc(Cl)c2c(I)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.47
CDK9 P50750 5/20 0.47
DYRK1B Q9Y463 4/20 0.47
DYRK2 Q92630 3/20 0.47
CLK1 P49759 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
CDK5 Q00535 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 2/20 0.42
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
ELANE P08246 1/20 0.38

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
SCHEMBL28400152 0.84 DYRK1A (0.49) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL626362 0.81 DYRK1A (0.49) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL8574385 0.80 DHODH (0.49) DYRK1ACDK9DYRK1BDYRK2CLK1
Water SCHEMBL25347465 0.80 DYRK1A (0.48) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL10416744 0.75 DHODH (0.50) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL891835 0.72 ALDH1A1 (0.52) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL30583760 0.72 ALDH1A1 (0.52) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL29012657 0.70 ALDH1A1 (0.48) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL9768818 0.69 DHODH (0.47) DYRK1ACDK9DYRK1BDYRK2CLK1
SCHEMBL7524860 0.69 KDM4E (0.44) DYRK1ACDK9DYRK1BDYRK2CLK1

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-116606321-A Compound with chloroiodohydroxyquinoline tetravalent platinum structure, preparation method and application thereof 聊城大学 2023-08-18 CN disclosed