SCHEMBL15958749

SCHEMBL15958749

CO[C@H]1Cc2cc(Cl)ccc2[C@H]1Nc1cc(O[C@@H]2C[C@@H](CCS(N)(=O)=O)[C@@H](O)C2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 20/20 0.55
UBA3 Q8TBC4 20/20 0.55

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
SCHEMBL15025759 0.93 NAE1 (0.51) NAE1UBA3
SCHEMBL15024142 0.91 NAE1 (0.52) NAE1UBA3
SCHEMBL14719789 0.90 NAE1 (0.68) NAE1UBA3
SCHEMBL29484028 0.90 NAE1 (0.68) NAE1UBA3
SCHEMBL14723085 0.90 NAE1 (0.68) NAE1UBA3
Hydrochloric Acid SCHEMBL14719845 0.89 NAE1 (0.67) NAE1UBA3
SCHEMBL14723289 0.89 NAE1 (0.53) NAE1UBA3
SCHEMBL14719844 0.88 NAE1 (0.51) NAE1UBA3
SCHEMBL14719846 0.88 NAE1 (0.51) NAE1UBA3
SCHEMBL19749332 0.86 NAE1 (0.57) 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-8809356-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed