SCHEMBL14447556

SCHEMBL14447556

NS(=O)(=O)OC[C@H]1CCC(n2ccc3c(NCc4ccc(O)c(I)c4)ncnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 7/20 0.45
UBA3 Q8TBC4 6/20 0.45
CA2 P00918 2/20 0.45
UBA6 A0AVT1 2/20 0.45
GRK5 P34947 1/20 0.45
CSNK1A1 P48729 1/20 0.45
NEDD8 Q15843 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
ADORA3 P0DMS8 4/20 0.35
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
PIP4K2A P48426 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL13192031 0.87 NAE1 (0.44) NAE1UBA3CA2UBA6GRK5
SCHEMBL10233932 0.86 CA2 (0.46) NAE1UBA3CA2UBA6GRK5
SCHEMBL10293821 0.86 NAE1 (0.51) NAE1UBA3CA2UBA6GRK5
SCHEMBL10235256 0.85 PDE5A (0.46)
SCHEMBL2740595 0.85 METTL3 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL10293817 0.84 NAE1 (0.44) NAE1UBA3CA2UBA6GRK5
SCHEMBL10242205 0.84 NAE1 (0.49) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740590 0.81 NAE1 (0.50) NAE1UBA3CA2UBA6GRK5
SCHEMBL13194017 0.81 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5
SCHEMBL2740568 0.80 NAE1 (0.47) NAE1UBA3CA2UBA6GRK5

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-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed