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Sugi Predict / Compounds / SCHEMBL19185624

SCHEMBL19185624

SCHEMBL19185624

NS(=O)(=O)OC[C@@H]1CC(Cc2cc(N[C@H]3CCc4ccccc43)ncn2)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 18/20 1.00
▸ UBA3 Q8TBC4 16/20 1.00
▸ UBA6 A0AVT1 3/20 0.58
▸ SAE1 Q9UBE0 3/20 0.58
▸ CA2 P00918 2/20 0.57
▸ GRK5 P34947 1/20 0.57
▸ CSNK1A1 P48729 1/20 0.57
▸ NEDD8 Q15843 1/20 0.57
▸ UBA2 Q9UBT2 1/20 0.57
▸ ATG7 O95352 1/20 0.49
▸ UBA7 P41226 1/20 0.49

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
SCHEMBL782810 1.00 NAE1 (1.00) NAE1UBA3UBA6SAE1CA2
SCHEMBL782426 0.86 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL782948 0.86 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL2879315 0.86 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL18540588 0.85 NAE1 (0.75) NAE1UBA3UBA6SAE1CA2
SCHEMBL783657 0.85 NAE1 (0.73) NAE1UBA3UBA6SAE1CA2
SCHEMBL783652 0.83 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL17145365 0.83 NAE1 (0.77) NAE1UBA3UBA6SAE1CA2
SCHEMBL783665 0.83 NAE1 (0.71) NAE1UBA3UBA6SAE1CA2
SCHEMBL12392813 0.83 NAE1 (0.71) 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
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
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