SCHEMBL17875221

SCHEMBL17875221

NS(=O)(=O)OC[C@@H]1CC(n2ccc3c(N[C@H]4CCc5c(F)ccc(F)c54)ncnc32)C[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 17/20 0.71
UBA3 Q8TBC4 15/20 0.71
UBA6 A0AVT1 3/20 0.71
CA2 P00918 2/20 0.71
SAE1 Q9UBE0 2/20 0.71
GRK5 P34947 1/20 0.71
CSNK1A1 P48729 1/20 0.71
NEDD8 Q15843 1/20 0.71
UBA2 Q9UBT2 1/20 0.71

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
SCHEMBL191707 1.00 NAE1 (0.71) NAE1UBA3UBA6CA2SAE1
SCHEMBL191839 1.00 NAE1 (0.71) NAE1UBA3UBA6CA2SAE1
SCHEMBL193990 0.90 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL15346160 0.90 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL191799 0.90 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL192946 0.90 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865935 0.87 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL192146 0.84 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL191949 0.84 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1
SCHEMBL191694 0.84 NAE1 (0.78) NAE1UBA3UBA6CA2SAE1

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