SCHEMBL14723199

SCHEMBL14723199

O=S(=O)(O)NC[C@@H]1C[C@@H](Nc2ncnc3[nH]c(-c4cccc5ccccc45)cc23)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 11/20 0.43
UBA3 Q8TBC4 11/20 0.43
CSF1R P07333 2/20 0.39
PRMT5 O14744 1/20 0.38
BRAF P15056 1/20 0.37
TNNI3K Q59H18 1/20 0.37
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SAE1 Q9UBE0 4/20 0.35
UBA2 Q9UBT2 4/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL14723201 0.83 CSF1R (0.39) NAE1UBA3CSF1RPRMT5BRAF
SCHEMBL805376 0.74 NAE1 (0.53) NAE1UBA3CSF1RPRMT5BRAF
SCHEMBL782607 0.73 NAE1 (0.63) NAE1UBA3CSF1RPRMT5SAE1
SCHEMBL782553 0.72 NAE1 (0.67) NAE1UBA3SAE1UBA2
SCHEMBL15007086 0.67 NAE1 (0.43) NAE1UBA3EGFR
SCHEMBL15007085 0.67 NAE1 (0.43) NAE1UBA3
SCHEMBL783028 0.64 GSK3B (0.56) CSF1RBRAFTNNI3KGSK3BCDK5
SCHEMBL21192780 0.63 SAE1 (0.61) NAE1UBA3SAE1UBA2
SCHEMBL17866003 0.63 NAE1 (0.48) NAE1UBA3SAE1UBA2
SCHEMBL16155027 0.63 NAE1 (0.64) NAE1UBA3SAE1UBA2

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