SCHEMBL17866002

SCHEMBL17866002

CN([C@H]1C[C@@H](n2ccc3c(NCC4CCCCC4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 2/20 0.41
CA2 P00918 2/20 0.41
UBA6 A0AVT1 2/20 0.41
GRK5 P34947 1/20 0.41
CSNK1A1 P48729 1/20 0.41
NEDD8 Q15843 1/20 0.41
UBA3 Q8TBC4 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
PRMT5 O14744 5/20 0.37
WDR77 Q9BQA1 5/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
ACACB O00763 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
PIP4K2A P48426 1/20 0.35

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
SCHEMBL17865917 0.95 UBA6 (0.42) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865973 0.84 UBA6 (0.42) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17866001 0.84 NAE1 (0.49) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865956 0.84 NAE1 (0.43) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865958 0.83 TP53 (0.45) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL10005127 0.83 NAE1 (0.52) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865963 0.82 UBA6 (0.41) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865976 0.81 CCNA2 (0.44) NAE1CA2UBA6GRK5CSNK1A1
SCHEMBL17865921 0.80 METTL3 (0.54) NAE1CA2GRK5CSNK1A1CCNA2
SCHEMBL17865924 0.80 UBA6 (0.38) NAE1CA2UBA6GRK5CSNK1A1

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