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SCHEMBL2879315

SCHEMBL2879315

NS(=O)(=O)OC[C@H]1CC(Nc2cc(N[C@H]3CCc4ccccc43)ncn2)C[C@@H]1O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 17/20 0.77
▸ UBA3 Q8TBC4 15/20 0.77
▸ SAE1 Q9UBE0 5/20 0.61
▸ UBA6 A0AVT1 3/20 0.61
▸ UBA2 Q9UBT2 3/20 0.60
▸ CA2 P00918 2/20 0.60
▸ GRK5 P34947 1/20 0.60
▸ CSNK1A1 P48729 1/20 0.60
▸ NEDD8 Q15843 1/20 0.60
▸ ATG7 O95352 1/20 0.52
▸ UBA7 P41226 1/20 0.52

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
SCHEMBL782948 1.00 NAE1 (0.77) NAE1UBA3SAE1UBA6UBA2
SCHEMBL782426 1.00 NAE1 (0.77) NAE1UBA3SAE1UBA6UBA2
SCHEMBL2876080 0.90 NAE1 (0.62) NAE1UBA3SAE1UBA6UBA2
SCHEMBL18540588 0.89 NAE1 (0.75) NAE1UBA3SAE1UBA6UBA2
SCHEMBL782918 0.88 NAE1 (0.60) NAE1UBA3SAE1UBA6UBA2
SCHEMBL782919 0.88 NAE1 (0.60) NAE1UBA3SAE1UBA6UBA2
SCHEMBL783848 0.88 NAE1 (0.77) NAE1UBA3SAE1UBA6UBA2
SCHEMBL2881525 0.88 NAE1 (0.77) NAE1UBA3SAE1UBA6UBA2
SCHEMBL783652 0.86 NAE1 (0.77) NAE1UBA3SAE1UBA6CA2
SCHEMBL17145365 0.86 NAE1 (0.77) NAE1UBA3SAE1UBA6CA2

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-2049491-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2010-10-20 — — EP disclosed