SCHEMBL10004923

SCHEMBL10004923

CN([C@H]1C[C@@H](n2ccc3c(N[C@H]4CCOc5ccccc54)ncnc32)C[C@@H]1O)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 6/20 0.51
UBA6 A0AVT1 5/20 0.51
UBA3 Q8TBC4 4/20 0.51
SAE1 Q9UBE0 3/20 0.51
CA2 P00918 2/20 0.51
GRK5 P34947 1/20 0.51
CSNK1A1 P48729 1/20 0.51
NEDD8 Q15843 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
CCR6 P51684 1/20 0.35
PIP4K2A P48426 1/20 0.33
ATG7 O95352 1/20 0.32
UBA7 P41226 1/20 0.32
ADK P55263 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL11889842 0.87 NAE1 (0.67) NAE1UBA6UBA3SAE1CA2
SCHEMBL10005120 0.87 NAE1 (0.67) NAE1UBA6UBA3SAE1CA2
SCHEMBL746538 0.87 NAE1 (0.67) NAE1UBA6UBA3SAE1CA2
SCHEMBL10004715 0.86 NAE1 (0.61) NAE1UBA6UBA3SAE1CA2
SCHEMBL10004920 0.85 NAE1 (0.59) NAE1UBA6UBA3SAE1CA2
SCHEMBL17866059 0.83 NAE1 (0.51) NAE1UBA6UBA3SAE1CA2
SCHEMBL17865961 0.83 NAE1 (0.52) NAE1UBA6UBA3SAE1CA2
SCHEMBL17865985 0.83 NAE1 (0.52) NAE1UBA6UBA3SAE1CA2
SCHEMBL17865940 0.83 NAE1 (0.52) NAE1UBA6UBA3SAE1CA2
SCHEMBL17865931 0.83 NAE1 (0.52) NAE1UBA6UBA3SAE1CA2

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 2 patents. 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
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP claimed