SCHEMBL18158965

SCHEMBL18158965

COCCO[C@H]1C[C@@H](COP(=O)(O)S)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ HPRT1 P00492 3/20 0.49
▸ TGM2 P21980 1/20 0.48
▸ KRAS P01116 8/20 0.46
▸ HINT1 P49773 1/20 0.46
▸ IMPDH2 P12268 1/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL18158915 0.93 NT5E (0.53) NT5EFUT5POLBHPRT1TGM2
SCHEMBL20833471 0.88 HPGD (0.51) NT5EFUT5POLBHPRT1TGM2
SCHEMBL22352197 0.86 NT5E (0.58) NT5EFUT5POLBHPRT1TGM2
SCHEMBL23679806 0.85 NT5E (0.55) NT5EFUT5POLBHPRT1TGM2
SCHEMBL18158913 0.85 F2 (0.50) NT5EFUT5POLBTGM2
SCHEMBL21454982 0.83 NT5E (0.57) NT5EFUT5POLBHPRT1TGM2
SCHEMBL18158888 0.83 P2RY1 (0.52) NT5ETAS1R3TAS1R1
SCHEMBL12714609 0.82 NT5E (0.70) NT5EFUT5POLBHPRT1TGM2
SCHEMBL12714572 0.81 FUT5 (0.61) NT5EFUT5POLBHPRT1TGM2
SCHEMBL12714596 0.81 FUT5 (0.66) NT5EFUT5POLBHPRT1TGM2

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-2016168592-A2 COMPOSITIONS FOR MODULATING C9ORF72 EXPRESSION IONIS PHARMACEUTICALS, INC. (US) 2016-10-20 — — WO disclosed
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