SCHEMBL12671484

SCHEMBL12671484

CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.80
TGM2 P21980 1/20 0.74
HINT1 P49773 1/20 0.69
IMPDH2 P12268 5/20 0.68
IMPDH1 P20839 1/20 0.68
FUT5 Q11128 1/20 0.68
KRAS P01116 9/20 0.67
TAS1R3 Q7RTX0 1/20 0.65
TAS1R1 Q7RTX1 1/20 0.65
DCPS Q96C86 1/20 0.63

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
SCHEMBL9238744 1.00 NT5E (0.80) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL14201234 0.94 TGM2 (0.81) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL15702883 0.94 TGM2 (0.81) NT5ETGM2HINT1IMPDH2IMPDH1
SCHEMBL26067577 0.93 NT5E (0.70) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL18759049 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL21803790 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL13497991 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL20677331 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL21163348 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1
E626 SCHEMBL18763818 0.92 NT5E (0.83) NT5ETGM2HINT1IMPDH2IMPDH1

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
US-7935814-B2 Nitroguanosine-3′ 5′-cyclic monophosphate compound and protein kinase G activating agent KUMAMOTO UNIVERSITY (JP) 2011-05-03 US disclosed