SCHEMBL17865983

SCHEMBL17865983

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5c(Cl)cccc54)ncnc32)C[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 9/20 0.60
▸ UBA3 Q8TBC4 7/20 0.60
▸ UBA6 A0AVT1 3/20 0.60
▸ SAE1 Q9UBE0 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
▸ UBA2 Q9UBT2 1/20 0.60
▸ PRMT5 O14744 3/20 0.36
▸ WDR77 Q9BQA1 3/20 0.36
▸ ATG7 O95352 1/20 0.35
▸ UBA7 P41226 1/20 0.35
▸ PIP4K2A P48426 1/20 0.34
▸ METTL3 Q86U44 1/20 0.33
▸ METTL14 Q9HCE5 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 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
SCHEMBL17865960 1.00 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865939 0.91 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865930 0.91 NAE1 (0.60) NAE1UBA3UBA6SAE1CA2
SCHEMBL192709 0.88 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL192146 0.88 NAE1 (0.78) NAE1UBA3UBA6SAE1CA2
SCHEMBL10005116 0.87 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL11889841 0.87 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL10004981 0.87 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865961 0.85 NAE1 (0.52) NAE1UBA3UBA6SAE1CA2
SCHEMBL17865985 0.85 NAE1 (0.52) 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 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
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