SCHEMBL30466599

SCHEMBL30466599

CC(C)(C)OC(=O)NCc1nc2c(I)cccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
GLS O94925 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
DYRK1A Q13627 1/20 0.38
PDPK1 O15530 1/20 0.37
NAMPT P43490 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
BCHE P06276 1/20 0.36
NQO2 P16083 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP1A2 P05177 1/20 0.36
PARP1 P09874 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL28371117 1.00 KDM4A (0.41) KDM4AGLSL3MBTL1DYRK1APDPK1
SCHEMBL23874407 0.86 KDM4A (0.41) KDM4AGLSL3MBTL1DYRK1APDPK1
SCHEMBL30466622 0.86 GAA (0.46) KDM4AGLSHPGDMAPT
SCHEMBL28366626 0.86 GAA (0.46) KDM4AGLSHPGDMAPT
SCHEMBL30466623 0.86 GAA (0.46) KDM4AGLSHPGDMAPT
SCHEMBL23857778 0.85 GLS (0.41) KDM4AGLSL3MBTL1DYRK1APDPK1
SCHEMBL23874457 0.84 GLS (0.39) KDM4AGLSL3MBTL1DYRK1APDPK1
SCHEMBL23874527 0.84 AURKA (0.43) KDM4AGLSDYRK1APARP1
SCHEMBL20511669 0.81 HPGD (0.41) L3MBTL1DYRK1APOLBMAPK1ATM
SCHEMBL4159541 0.80 HPGD (0.55) KDM4AL3MBTL1POLBMAPK1ATM

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
EP-3601224-B1 CHEMICAL COMPOUNDS AS ANTIBIOTICS ANTABIO SAS (FR) 2023-07-05 EP disclosed