SCHEMBL17865997

SCHEMBL17865997

CO[C@@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](N(C)S(=O)(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 12/20 0.48
UBA3 Q8TBC4 11/20 0.48
UBA6 A0AVT1 3/20 0.48
CA2 P00918 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
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PIP4K2A P48426 1/20 0.33
CRHR1 P34998 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL10005118 1.00 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL10005008 0.92 NAE1 (0.47) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865946 0.92 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865992 0.91 NAE1 (0.49) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865934 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL193375 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL5469561 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865998 0.90 NAE1 (0.48) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865926 0.89 NAE1 (0.52) NAE1UBA3UBA6CA2GRK5
SCHEMBL17865971 0.89 NAE1 (0.52) 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