SCHEMBL17875196

SCHEMBL17875196

NSOC[C@@H]1C[C@@H](n2ccc3c(NCc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 7/20 0.51
UBA3 Q8TBC4 6/20 0.51
CA2 P00918 2/20 0.51
GRK5 P34947 1/20 0.51
CSNK1A1 P48729 1/20 0.51
UBA6 A0AVT1 1/20 0.51
NEDD8 Q15843 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT5 O14744 3/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
HTT P42858 2/20 0.40
METTL3 Q86U44 1/20 0.40
METTL14 Q9HCE5 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL192044 0.86 NAE1 (0.68) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865955 0.81 NAE1 (0.51) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL192175 0.77 NAE1 (0.62) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL18872641 0.77 NAE1 (0.54) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL191182 0.76 NAE1 (0.61) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865952 0.76 KDM4E (0.48) KDM4ETSHRMAPK10HSD17B10PRMT5
SCHEMBL193225 0.75 NAE1 (0.59) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL12985195 0.75 NAE1 (0.61) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL191135 0.75 NAE1 (0.61) NAE1UBA3CA2GRK5CSNK1A1
SCHEMBL17865956 0.74 NAE1 (0.43) NAE1UBA3CA2GRK5CSNK1A1

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 disclosed