SCHEMBL17865972

SCHEMBL17865972

CNc1ncnc2c1ccn2[C@@H]1C[C@@H](CNS(=O)(=O)O)[C@@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 6/20 0.51
UBA3 Q8TBC4 5/20 0.51
UBA6 A0AVT1 4/20 0.51
CA2 P00918 2/20 0.51
GRK5 P34947 1/20 0.51
CSNK1A1 P48729 1/20 0.51
NEDD8 Q15843 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
PRMT5 O14744 6/20 0.42
WDR77 Q9BQA1 4/20 0.42
P2RY1 P47900 1/20 0.36
METTL3 Q86U44 1/20 0.36
PIP4K2A P48426 1/20 0.35

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
SCHEMBL17865962 0.90 NAE1 (0.49) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865916 0.87 NAE1 (0.51) NAE1UBA3UBA6CA2GRK5
SCHEMBL10004854 0.86 NAE1 (0.52) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865955 0.85 NAE1 (0.51) NAE1UBA3UBA6CA2GRK5
SCHEMBL17866001 0.85 NAE1 (0.49) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865957 0.84 NAE1 (0.46) NAE1UBA3UBA6CA2GRK5
SCHEMBL192708 0.83 NAE1 (0.68) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865925 0.83 NAE1 (0.44) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865941 0.82 NAE1 (0.49) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865920 0.82 METTL3 (0.55) NAE1UBA3UBA6CA2GRK5

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 claimed