SCHEMBL14729631

SCHEMBL14729631

OC[C@@H]1C[C@@H](Oc2cc(CI)ncn2)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 15/20 0.48
UBA3 Q8TBC4 15/20 0.48
ELOVL1 Q9BW60 1/20 0.31

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
SCHEMBL14719969 0.81 NAE1 (0.47) NAE1UBA3ELOVL1
SCHEMBL23487450 0.74 NAE1 (0.40) NAE1UBA3
SCHEMBL23455999 0.74 NAE1 (0.40) NAE1UBA3
SCHEMBL23456099 0.70 NAE1 (0.47) NAE1UBA3
SCHEMBL27250596 0.69 NAE1 (0.46) NAE1UBA3ELOVL1
SCHEMBL15024140 0.67 NAE1 (0.36) NAE1UBA3ELOVL1
SCHEMBL18526987 0.65 NAE1 (0.63) NAE1UBA3ELOVL1
SCHEMBL14729632 0.64 NAE1 (0.31) NAE1UBA3
SCHEMBL23487922 0.63 NAE1 (0.57) NAE1UBA3
SCHEMBL23456068 0.63 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
WO-2013028832-A2 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-28 WO disclosed