SCHEMBL14563561

SCHEMBL14563561

NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3cncnc32)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 16/20 0.53
▸ UBA3 Q8TBC4 15/20 0.53
▸ SAE1 Q9UBE0 5/20 0.53
▸ UBA2 Q9UBT2 5/20 0.53
▸ CA2 P00918 3/20 0.53
▸ UBA6 A0AVT1 2/20 0.53
▸ GRK5 P34947 1/20 0.53
▸ CSNK1A1 P48729 1/20 0.53
▸ NEDD8 Q15843 1/20 0.53

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
SCHEMBL1795315 0.82 ATG7 (0.52) CA2
SCHEMBL17875227 0.81 NAE1 (0.62) NAE1UBA3SAE1UBA2CA2
SCHEMBL192379 0.81 NAE1 (0.62) NAE1UBA3SAE1UBA2CA2
SCHEMBL4259358 0.81 TK1 (0.38) NAE1UBA3SAE1UBA2CA2
SCHEMBL14563559 0.81 NAE1 (0.39) NAE1UBA3SAE1UBA2CA2
SCHEMBL192779 0.80 NAE1 (0.61) NAE1UBA3SAE1UBA2CA2
SCHEMBL17875179 0.80 NAE1 (0.61) NAE1UBA3SAE1UBA2CA2
SCHEMBL192708 0.78 NAE1 (0.68) NAE1UBA3SAE1UBA2CA2
SCHEMBL192354 0.77 NAE1 (0.67) NAE1UBA3SAE1UBA2CA2
SCHEMBL192795 0.77 NAE1 (0.66) NAE1UBA3SAE1UBA2CA2

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-2546256-A2 Process for the synthesis of intermediates compounds useful for the preparation of E1 activity activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-16 — — EP disclosed
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