SCHEMBL14386554

SCHEMBL14386554

COC(=O)[C@@H](CN1CCC(NC(=O)OC(C)(C)C)CC1)c1c(Cl)cnc2ccc(OC)nc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
SLC2A1 P11166 1/20 0.40
MAP4K4 O95819 2/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
FGFR4 P22455 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 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
SCHEMBL5744791 1.00 KCNH2 (0.42) KCNH2SLC2A1MAP4K4CKS1BSKP1
SCHEMBL5744343 0.91 KCNH2 (0.49) KCNH2SLC2A1CKS1BSKP1SKP2
SCHEMBL3546417 0.90 KCNH2 (0.50) KCNH2SLC2A1MAP4K4CKS1BSKP1
SCHEMBL13315105 0.90 KCNH2 (0.42) KCNH2SLC2A1MAP4K4CKS1BSKP1
SCHEMBL2935789 0.87 KCNH2 (0.43) KCNH2SLC2A1MAP4K4CKS1BSKP1
SCHEMBL3551289 0.86 SLC2A1 (0.51) KCNH2SLC2A1MAP4K4
SCHEMBL3148938 0.83 SLC2A1 (0.41) KCNH2SLC2A1CKS1BSKP1SKP2
SCHEMBL3144945 0.83 KCNA3 (0.40) KCNH2SLC2A1MAP4K4CKS1BSKP1
SCHEMBL3209072 0.82 MTNR1A (0.44) SLC2A1MAP4K4CKS1BSKP1SKP2
SCHEMBL1075324 0.82 KCNH2 (0.49) KCNH2SLC2A1CKS1BSKP1SKP2

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-2007122258-A1 TRYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed