SCHEMBL17875180

SCHEMBL17875180

NC(O)(O)OC[C@@H]1CC(n2ccc3c(NCC4CCCCC4)ncnc32)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 5/20 0.48
▸ UBA3 Q8TBC4 4/20 0.48
▸ CA2 P00918 2/20 0.48
▸ UBA6 A0AVT1 2/20 0.48
▸ GRK5 P34947 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ NEDD8 Q15843 1/20 0.48
▸ SAE1 Q9UBE0 1/20 0.48
▸ UBA2 Q9UBT2 1/20 0.48
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ PRMT5 O14744 5/20 0.37
▸ WDR77 Q9BQA1 4/20 0.37
▸ METTL3 Q86U44 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL192018 0.86 NAE1 (0.64) NAE1UBA3CA2UBA6GRK5
SCHEMBL17866001 0.82 NAE1 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL192354 0.81 NAE1 (0.67) NAE1UBA3CA2UBA6GRK5
SCHEMBL230987 0.81 NAE1 (0.46) NAE1UBA3CA2UBA6GRK5
SCHEMBL230988 0.81 NAE1 (0.46) NAE1UBA3CA2UBA6GRK5
SCHEMBL17865916 0.77 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL17866043 0.76 PRMT5 (0.42) NAE1UBA3CA2UBA6GRK5
SCHEMBL17866002 0.75 NAE1 (0.41) NAE1UBA3CA2UBA6GRK5
SCHEMBL13194017 0.73 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5
SCHEMBL229686 0.73 NAE1 (0.39) NAE1UBA3CA2UBA6GRK5

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 disclosed
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