SCHEMBL17875209

SCHEMBL17875209

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 2/20 0.52
CA2 P00918 3/20 0.48
NAE1 Q13564 3/20 0.48
UBA3 Q8TBC4 2/20 0.48
GRK5 P34947 1/20 0.48
CSNK1A1 P48729 1/20 0.48
NEDD8 Q15843 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
METTL3 Q86U44 1/20 0.39

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
SCHEMBL15079618 1.00 UBA6 (0.52) UBA6CA2NAE1UBA3GRK5
SCHEMBL14430997 0.91 UBA6 (0.51) UBA6CA2NAE1UBA3GRK5
SCHEMBL192379 0.83 NAE1 (0.62) UBA6CA2NAE1UBA3GRK5
SCHEMBL17875227 0.83 NAE1 (0.62) UBA6CA2NAE1UBA3GRK5
SCHEMBL192357 0.77 PRMT5 (0.45) UBA6CA2NAE1UBA3GRK5
SCHEMBL13170755 0.75 ADK (0.47) UBA6METTL3
SCHEMBL192795 0.74 NAE1 (0.66) UBA6CA2NAE1UBA3GRK5
SCHEMBL192779 0.74 NAE1 (0.61) UBA6CA2NAE1UBA3GRK5
SCHEMBL17875179 0.74 NAE1 (0.61) UBA6CA2NAE1UBA3GRK5
SCHEMBL19563037 0.74 ADK (0.48) METTL3

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