SCHEMBL17865980

SCHEMBL17865980

CN([C@H]1C[C@@H](n2ccc3c(CCc4ccccc4)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBA6 A0AVT1 5/20 0.38
NAE1 Q13564 4/20 0.37
UBA3 Q8TBC4 3/20 0.37
CA2 P00918 2/20 0.37
GRK5 P34947 1/20 0.37
CSNK1A1 P48729 1/20 0.37
NEDD8 Q15843 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PRMT5 O14744 6/20 0.35
WDR77 Q9BQA1 1/20 0.35
SLC29A1 Q99808 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL17866000 0.85 UBA6 (0.37) UBA6NAE1UBA3CA2GRK5
SCHEMBL17865956 0.84 NAE1 (0.43) UBA6NAE1UBA3CA2GRK5
SCHEMBL17865966 0.84 SLC29A1 (0.51) SLC29A1ALDH1A1
SCHEMBL17865978 0.81 NAE1 (0.46) UBA6NAE1UBA3CA2GRK5
SCHEMBL10004855 0.80 ADK (0.47) UBA6NAE1UBA3CA2GRK5
SCHEMBL17866054 0.80 UBA6 (0.41) UBA6NAE1UBA3CA2GRK5
SCHEMBL17865973 0.79 UBA6 (0.42) UBA6NAE1UBA3CA2GRK5
SCHEMBL192481 0.78 NAE1 (0.60) UBA6NAE1UBA3CA2GRK5
SCHEMBL17865921 0.77 METTL3 (0.54) NAE1CA2GRK5CSNK1A1METTL3
SCHEMBL17865958 0.76 TP53 (0.45) UBA6NAE1UBA3CA2GRK5

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