SCHEMBL17875179

SCHEMBL17875179

Cc1ncnc2c1ccn2C1C[C@@H](COS(N)(=O)=O)[C@@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.61
UBA3 Q8TBC4 15/20 0.61
CA2 P00918 3/20 0.61
UBA6 A0AVT1 2/20 0.61
GRK5 P34947 1/20 0.61
CSNK1A1 P48729 1/20 0.61
NEDD8 Q15843 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61

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
SCHEMBL192779 1.00 NAE1 (0.61) NAE1UBA3CA2UBA6GRK5
SCHEMBL17875227 0.89 NAE1 (0.62) NAE1UBA3CA2UBA6GRK5
SCHEMBL192379 0.89 NAE1 (0.62) NAE1UBA3CA2UBA6GRK5
SCHEMBL13170714 0.89 NAE1 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL192708 0.87 NAE1 (0.68) NAE1UBA3CA2UBA6GRK5
SCHEMBL192795 0.85 NAE1 (0.66) NAE1UBA3CA2UBA6GRK5
SCHEMBL10186234 0.85 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5
SCHEMBL10186267 0.84 METTL3 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL1795625 0.83 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL193035 0.83 NAE1 (0.59) NAE1UBA3CA2UBA6GRK5

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