SCHEMBL17875182

SCHEMBL17875182

CO[C@H]1CCc2ccccc2[C@H]1Nc1ncnc2c1ccn2[C@H]1CC[C@H](COS(N)(=O)=O)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 16/20 0.60
UBA3 Q8TBC4 14/20 0.60
UBA6 A0AVT1 3/20 0.60
SAE1 Q9UBE0 3/20 0.60
CA2 P00918 2/20 0.60
GRK5 P34947 1/20 0.60
CSNK1A1 P48729 1/20 0.60
NEDD8 Q15843 1/20 0.60
UBA2 Q9UBT2 1/20 0.60
ATG7 O95352 1/20 0.43
UBA7 P41226 1/20 0.43

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
SCHEMBL13191784 0.93 NAE1 (0.55) NAE1UBA3UBA6SAE1CA2
SCHEMBL191855 0.88 NAE1 (0.79) NAE1UBA3UBA6SAE1CA2
SCHEMBL10236895 0.88 NAE1 (0.76) NAE1UBA3UBA6SAE1CA2
SCHEMBL191984 0.88 NAE1 (0.76) NAE1UBA3UBA6SAE1CA2
SCHEMBL12567159 0.88 NAE1 (0.76) NAE1UBA3UBA6SAE1CA2
SCHEMBL2741073 0.86 NAE1 (0.57) NAE1UBA3UBA6SAE1CA2
SCHEMBL13191946 0.85 NAE1 (0.69) NAE1UBA3UBA6SAE1CA2
SCHEMBL10236442 0.82 NAE1 (0.47) NAE1UBA3UBA6SAE1CA2
SCHEMBL13191993 0.82 NAE1 (0.65) NAE1UBA3UBA6SAE1CA2
SCHEMBL235400 0.82 NAE1 (0.81) 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 disclosed