SCHEMBL17865975

SCHEMBL17865975

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(NCc4ccc(Cl)c(Cl)c4)ncnc32)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 2/20 0.45
CA2 P00918 2/20 0.45
GRK5 P34947 1/20 0.45
CSNK1A1 P48729 1/20 0.45
UBA6 A0AVT1 1/20 0.45
NEDD8 Q15843 1/20 0.45
UBA3 Q8TBC4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
METTL3 Q86U44 1/20 0.43
METTL14 Q9HCE5 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
AURKA O14965 2/20 0.41
RPS6KB1 P23443 2/20 0.41
PRMT5 O14744 4/20 0.40
WDR77 Q9BQA1 4/20 0.40
CCR2 P41597 1/20 0.39

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
SCHEMBL17865957 0.91 NAE1 (0.46) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865920 0.90 METTL3 (0.55) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865955 0.87 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865942 0.86 KDM4E (0.48) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL193227 0.86 NAE1 (0.59) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865976 0.85 CCNA2 (0.44) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17866048 0.83 METTL3 (0.45) METTL3METTL14CCNA2CDK2CDK5
SCHEMBL17865916 0.83 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865977 0.83 NAE1 (0.43) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865972 0.82 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6

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