SCHEMBL17875227

SCHEMBL17875227

Nc1ncnc2c1ccn2C1C[C@@H](COS(N)(=O)=O)[C@@H](O)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 12/20 0.62
UBA3 Q8TBC4 10/20 0.62
CA2 P00918 3/20 0.62
UBA6 A0AVT1 3/20 0.62
SAE1 Q9UBE0 2/20 0.62
GRK5 P34947 1/20 0.62
CSNK1A1 P48729 1/20 0.62
NEDD8 Q15843 1/20 0.62
UBA2 Q9UBT2 1/20 0.62
ATG7 O95352 3/20 0.46

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
SCHEMBL192379 1.00 NAE1 (0.62) NAE1UBA3CA2UBA6SAE1
SCHEMBL192779 0.89 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875179 0.89 NAE1 (0.61) NAE1UBA3CA2UBA6SAE1
SCHEMBL192708 0.86 NAE1 (0.68) NAE1UBA3CA2UBA6SAE1
SCHEMBL192795 0.84 NAE1 (0.66) NAE1UBA3CA2UBA6SAE1
SCHEMBL192232 0.83 NAE1 (0.69) NAE1UBA3CA2UBA6SAE1
SCHEMBL192481 0.83 NAE1 (0.60) NAE1UBA3CA2UBA6SAE1
SCHEMBL192354 0.83 NAE1 (0.67) NAE1UBA3CA2UBA6SAE1
SCHEMBL15079618 0.83 UBA6 (0.52) NAE1UBA3CA2UBA6SAE1
SCHEMBL17875209 0.83 UBA6 (0.52) NAE1UBA3CA2UBA6SAE1

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