SCHEMBL17865964

SCHEMBL17865964

O=S(=O)(O)NC[C@@H]1C[C@@H](n2ccc3c(SCc4ccccc4)ncnc32)C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.51
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
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 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
SCHEMBL17865955 0.84 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL192901 0.84 NAE1 (0.59) SLC29A1NAE1CA2GRK5CSNK1A1
SCHEMBL17865966 0.82 SLC29A1 (0.51) SLC29A1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10004854 0.81 NAE1 (0.52) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17866058 0.81 SLC29A1 (0.57) SLC29A1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL17865999 0.80 UBA6 (0.43) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865972 0.79 NAE1 (0.51) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865920 0.77 METTL3 (0.55) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL17865990 0.77 SLC29A1 (0.57) SLC29A1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL17865991 0.76 NAE1 (0.58) 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