SCHEMBL18995137

SCHEMBL18995137

NSOC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cc(COc3ccccc3I)cs2)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 20/20 0.56
UBA2 Q9UBT2 20/20 0.56
NAE1 Q13564 15/20 0.56
UBA3 Q8TBC4 15/20 0.56

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
SCHEMBL17410033 0.90 SAE1 (0.70) SAE1UBA2NAE1UBA3
SCHEMBL18995203 0.89 SAE1 (0.54) SAE1UBA2NAE1UBA3
SCHEMBL18962809 0.87 SAE1 (0.51) SAE1UBA2NAE1UBA3
SCHEMBL17429148 0.84 SAE1 (0.47) SAE1UBA2NAE1UBA3
SCHEMBL17410312 0.83 SAE1 (0.74) SAE1UBA2NAE1UBA3
SCHEMBL17410029 0.81 SAE1 (0.74) SAE1UBA2NAE1UBA3
SCHEMBL17398680 0.81 SAE1 (0.70) SAE1UBA2NAE1UBA3
SCHEMBL17421372 0.81 SAE1 (0.70) SAE1UBA2NAE1UBA3
SCHEMBL21128801 0.81 SAE1 (0.70) SAE1UBA2NAE1UBA3
SCHEMBL17410021 0.81 SAE1 (0.70) SAE1UBA2NAE1UBA3

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-9683003-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed