SCHEMBL17865992

SCHEMBL17865992

CN([C@H]1C[C@@H](n2ccc3c(N[C@@H]4c5ccccc5C[C@@H]4O)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 10/20 0.49
UBA3 Q8TBC4 9/20 0.49
CA2 P00918 2/20 0.49
UBA6 A0AVT1 2/20 0.49
GRK5 P34947 1/20 0.49
CSNK1A1 P48729 1/20 0.49
NEDD8 Q15843 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
JAK1 P23458 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PIP4K2A P48426 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 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
SCHEMBL17865934 0.94 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL193375 0.94 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL17865998 0.94 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL5469561 0.94 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL192519 0.91 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5
SCHEMBL10005118 0.91 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL17865915 0.91 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5
SCHEMBL17865950 0.91 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5
SCHEMBL17865997 0.91 NAE1 (0.48) NAE1UBA3CA2UBA6GRK5
SCHEMBL193954 0.91 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5

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