SCHEMBL17865941

SCHEMBL17865941

COc1ccccc1CNc1ncnc2c1ccn2[C@@H]1C[C@@H](CNS(=O)(=O)O)[C@@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 3/20 0.49
CA2 P00918 2/20 0.49
UBA3 Q8TBC4 2/20 0.49
UBA6 A0AVT1 2/20 0.49
GRK5 P34947 1/20 0.49
CSNK1A1 P48729 1/20 0.49
NEDD8 Q15843 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
KDM4E B2RXH2 2/20 0.47
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL191796 0.87 NAE1 (0.63) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865955 0.85 NAE1 (0.51) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865943 0.85 KDM4E (0.47) NAE1CA2UBA3UBA6GRK5
SCHEMBL5456441 0.84 KDM4E (0.52) UBA6KDM4ETP53LMNAMAPT
SCHEMBL17865972 0.82 NAE1 (0.51) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865916 0.82 NAE1 (0.51) NAE1CA2UBA3UBA6GRK5
SCHEMBL10004854 0.81 NAE1 (0.52) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865962 0.81 NAE1 (0.49) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865957 0.80 NAE1 (0.46) NAE1CA2UBA3UBA6GRK5
SCHEMBL17865920 0.80 METTL3 (0.55) NAE1CA2UBA3UBA6GRK5

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
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed