SCHEMBL14719972

SCHEMBL14719972

CC1(C)C[C@H](Nc2nccc(NC3C[C@H](COS(N)(=O)=O)[C@@H](O)C3O)n2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 7/20 0.65
UBA3 Q8TBC4 7/20 0.65
UBA1 P22314 13/20 0.51
UBE2E1 P51965 13/20 0.51

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
SCHEMBL782474 1.00 NAE1 (0.65) NAE1UBA3UBA1UBE2E1
SCHEMBL782980 0.86 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL17145363 0.86 NAE1 (0.68) NAE1UBA3UBA1UBE2E1
SCHEMBL782699 0.86 NAE1 (0.61) NAE1UBA3UBA1UBE2E1
SCHEMBL783123 0.79 NAE1 (1.00) NAE1UBA3UBA1UBE2E1
SCHEMBL2349048 0.79 NAE1 (0.61) NAE1UBA3UBA1UBE2E1
SCHEMBL12392908 0.78 NAE1 (0.53) NAE1UBA3UBA1
SCHEMBL782861 0.78 NAE1 (0.53) NAE1UBA3UBA1
SCHEMBL12452319 0.76 NAE1 (0.42) NAE1UBA3UBA1UBE2E1
SCHEMBL18540533 0.75 NAE1 (0.56) NAE1UBA3UBA1UBE2E1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748168-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2014-07-02 EP disclosed
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO disclosed