SCHEMBL17866017

SCHEMBL17866017

[CH2][C@@H]1O[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 6/20 0.57
▸ UBA3 Q8TBC4 4/20 0.57
▸ UBA6 A0AVT1 3/20 0.57
▸ SAE1 Q9UBE0 3/20 0.57
▸ 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
▸ AURKA O14965 3/20 0.44
▸ RPS6KB1 P23443 3/20 0.44
▸ EGFR P00533 1/20 0.43
▸ ATG7 O95352 1/20 0.43
▸ UBA7 P41226 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL10005020 0.84 NAE1 (0.59) NAE1UBA3UBA6SAE1CA2
SCHEMBL193489 0.84 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL193487 0.84 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL193488 0.84 NAE1 (0.72) NAE1UBA3UBA6SAE1CA2
SCHEMBL14921259 0.83 NAE1 (0.67) NAE1UBA3UBA6SAE1CA2
SCHEMBL17866022 0.83 NAE1 (0.67) NAE1UBA3UBA6SAE1CA2
SCHEMBL15346203 0.83 NAE1 (0.55) NAE1UBA3UBA6SAE1CA2
SCHEMBL10005059 0.83 NAE1 (0.57) NAE1UBA3UBA6SAE1CA2
SCHEMBL13170631 0.82 NAE1 (0.61) NAE1UBA3UBA6SAE1CA2
SCHEMBL5473129 0.82 NAE1 (0.61) 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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