SCHEMBL17865945

SCHEMBL17865945

CCO[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2c1ccn2[C@@H]1C[C@@H](CNS(=O)(=O)O)[C@@H](O)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 8/20 0.54
UBA3 Q8TBC4 6/20 0.54
UBA6 A0AVT1 3/20 0.54
CA2 P00918 2/20 0.54
SAE1 Q9UBE0 2/20 0.54
GRK5 P34947 1/20 0.54
CSNK1A1 P48729 1/20 0.54
NEDD8 Q15843 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
CRHR1 P34998 8/20 0.38
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL10005114 0.92 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865995 0.92 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL10005007 0.91 NAE1 (0.54) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865914 0.89 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL192518 0.89 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865949 0.89 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL193953 0.89 NAE1 (0.55) NAE1UBA3UBA6CA2SAE1
SCHEMBL191732 0.89 NAE1 (0.70) NAE1UBA3UBA6CA2SAE1
SCHEMBL17865991 0.89 NAE1 (0.58) NAE1UBA3UBA6CA2SAE1
SCHEMBL193374 0.88 NAE1 (0.56) NAE1UBA3UBA6CA2SAE1

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