SCHEMBL17145361

SCHEMBL17145361

NS(=O)(=O)OC[C@H]1C[C@@H](Nc2cc(C#Cc3ccccc3)ncn2)C[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 20/20 0.67
UBA3 Q8TBC4 20/20 0.67
SAE1 Q9UBE0 6/20 0.46
UBA2 Q9UBT2 6/20 0.46

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
SCHEMBL782962 0.85 NAE1 (0.67) NAE1UBA3SAE1UBA2
SCHEMBL782768 0.80 NAE1 (1.00) NAE1UBA3SAE1UBA2
SCHEMBL782948 0.76 NAE1 (0.77) NAE1UBA3SAE1UBA2
SCHEMBL782426 0.76 NAE1 (0.77) NAE1UBA3SAE1UBA2
SCHEMBL2879315 0.76 NAE1 (0.77) NAE1UBA3SAE1UBA2
SCHEMBL19184629 0.75 NAE1 (0.79) NAE1UBA3SAE1UBA2
SCHEMBL782894 0.74 NAE1 (0.60) NAE1UBA3
SCHEMBL783690 0.74 NAE1 (0.59) NAE1UBA3
SCHEMBL12392783 0.74 NAE1 (0.59) NAE1UBA3
SCHEMBL783623 0.74 NAE1 (0.59) NAE1UBA3

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-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed