SCHEMBL17875224

SCHEMBL17875224

NS(=O)(=O)OC[C@@H]1CC(n2ccc3c(NCc4ccccc4Cl)ncnc32)C[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.65
UBA3 Q8TBC4 14/20 0.65
SAE1 Q9UBE0 3/20 0.65
UBA6 A0AVT1 3/20 0.65
CA2 P00918 2/20 0.65
UBA2 Q9UBT2 2/20 0.65
GRK5 P34947 1/20 0.65
CSNK1A1 P48729 1/20 0.65
NEDD8 Q15843 1/20 0.65
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL191795 1.00 NAE1 (0.65) NAE1UBA3SAE1UBA6CA2
SCHEMBL191420 0.90 NAE1 (0.59) NAE1UBA3SAE1UBA6CA2
SCHEMBL10235254 0.90 NAE1 (0.65) NAE1UBA3SAE1UBA6CA2
SCHEMBL14441503 0.90 NAE1 (0.65) NAE1UBA3SAE1UBA6CA2
SCHEMBL192229 0.89 NAE1 (0.64) NAE1UBA3SAE1UBA6CA2
SCHEMBL191796 0.89 NAE1 (0.63) NAE1UBA3SAE1UBA6CA2
SCHEMBL192044 0.88 NAE1 (0.68) NAE1UBA3SAE1UBA6CA2
SCHEMBL193668 0.88 NAE1 (0.62) NAE1UBA3SAE1UBA6CA2
SCHEMBL192025 0.87 NAE1 (0.60) NAE1UBA3SAE1UBA6CA2
SCHEMBL192175 0.87 NAE1 (0.62) NAE1UBA3SAE1UBA6CA2

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-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed