SCHEMBL17865971

SCHEMBL17865971

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 14/20 0.52
UBA3 Q8TBC4 12/20 0.52
UBA6 A0AVT1 5/20 0.52
SAE1 Q9UBE0 3/20 0.52
CA2 P00918 2/20 0.52
GRK5 P34947 1/20 0.52
CSNK1A1 P48729 1/20 0.52
NEDD8 Q15843 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PIP4K2A P48426 1/20 0.32
ATG7 O95352 1/20 0.32
UBA7 P41226 1/20 0.32

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
SCHEMBL17865926 1.00 NAE1 (0.52) NAE1UBA3UBA6SAE1CA2
SCHEMBL191801 1.00 NAE1 (0.52) NAE1UBA3UBA6SAE1CA2
SCHEMBL5456247 1.00 NAE1 (0.52) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865950 0.92 NAE1 (0.50) NAE1UBA3UBA6SAE1CA2
SCHEMBL193954 0.92 NAE1 (0.50) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865915 0.92 NAE1 (0.50) NAE1UBA3UBA6SAE1CA2
SCHEMBL192519 0.92 NAE1 (0.50) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865992 0.89 NAE1 (0.49) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865997 0.89 NAE1 (0.48) NAE1UBA3UBA6SAE1CA2
SCHEMBL10005118 0.89 NAE1 (0.48) NAE1UBA3UBA6SAE1CA2

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