SCHEMBL10004722

SCHEMBL10004722

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5cc(Br)ccc54)ncnc32)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 6/20 0.62
▸ UBA3 Q8TBC4 4/20 0.62
▸ UBA6 A0AVT1 3/20 0.62
▸ SAE1 Q9UBE0 3/20 0.62
▸ CA2 P00918 2/20 0.62
▸ GRK5 P34947 1/20 0.62
▸ CSNK1A1 P48729 1/20 0.62
▸ NEDD8 Q15843 1/20 0.62
▸ UBA2 Q9UBT2 1/20 0.62
▸ ATG7 O95352 1/20 0.36
▸ UBA7 P41226 1/20 0.36
▸ AURKA O14965 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ EGFR P00533 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
SCHEMBL10004882 0.91 NAE1 (0.62) NAE1UBA3UBA6SAE1CA2
SCHEMBL10004981 0.89 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL11889841 0.89 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL10005116 0.89 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL192144 0.88 NAE1 (0.81) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865930 0.86 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL10004720 0.85 NAE1 (0.54) NAE1UBA3UBA6SAE1CA2
SCHEMBL17866016 0.84 NAE1 (0.53) NAE1UBA3UBA6SAE1CA2
SCHEMBL10004713 0.84 NAE1 (0.70) NAE1UBA3UBA6SAE1CA2
SCHEMBL192263 0.83 NAE1 (0.79) NAE1UBA3UBA6SAE1CA2

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
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