SCHEMBL17865917

SCHEMBL17865917

CN([C@H]1C[C@@H](n2ccc3c(NCC4CC4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 3/20 0.42
NAE1 Q13564 2/20 0.42
CA2 P00918 2/20 0.42
GRK5 P34947 1/20 0.42
CSNK1A1 P48729 1/20 0.42
NEDD8 Q15843 1/20 0.42
UBA3 Q8TBC4 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
PRMT5 O14744 5/20 0.40
WDR77 Q9BQA1 5/20 0.40
ADK P55263 1/20 0.37
PIP4K2A P48426 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
ACACB O00763 1/20 0.33
METTL3 Q86U44 1/20 0.33

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
SCHEMBL17866002 0.95 NAE1 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865973 0.86 UBA6 (0.42) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865956 0.86 NAE1 (0.43) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865958 0.85 TP53 (0.45) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL10005127 0.85 NAE1 (0.52) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865963 0.85 UBA6 (0.41) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865976 0.83 CCNA2 (0.44) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865916 0.83 NAE1 (0.51) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865924 0.83 UBA6 (0.38) UBA6NAE1CA2GRK5CSNK1A1
SCHEMBL17865921 0.83 METTL3 (0.54) NAE1CA2GRK5CSNK1A1CCNA2

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