SCHEMBL29093004

SCHEMBL29093004

CO[C@@]1(O)[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.56
▸ IMPDH2 P12268 6/20 0.56
▸ IMPDH1 P20839 2/20 0.56
▸ TAS1R3 Q7RTX0 2/20 0.54
▸ TAS1R1 Q7RTX1 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ FUT5 Q11128 1/20 0.51
▸ HINT1 P49773 1/20 0.50
▸ KRAS P01116 2/20 0.48
▸ STING1 Q86WV6 1/20 0.47

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
SCHEMBL29093384 0.93 TGM2 (0.58) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL28911222 0.87 HPGD (0.54) NT5ETGM2HINT1STING1
SCHEMBL843560 0.85 NT5E (0.56) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL31359443 0.84 TGM2 (0.56) NT5ETAS1R3TAS1R1POLBTGM2
SCHEMBL29958907 0.83 NT5E (0.53) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL15189562 0.83 NT5E (0.53) NT5EIMPDH2TAS1R3TAS1R1POLB
SCHEMBL5987461 0.82 HINT1 (0.51) NT5EIMPDH2TAS1R3TAS1R1POLB
SCHEMBL18744141 0.82 NT5E (0.51) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL20442307 0.81 POLB (0.61) NT5EIMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL2922052 0.81 POLB (0.61) NT5EIMPDH2IMPDH1TAS1R3TAS1R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116716367-A Method for synthesizing 3' -methoxy guanosine diphosphate by multienzyme cascade reaction and application thereof 武汉糖智药业有限公司 2023-09-08 — — CN claimed
CN-116716367-A Method for synthesizing 3' -methoxy guanosine diphosphate by multienzyme cascade reaction and application thereof 武汉糖智药业有限公司 2023-09-08 — — CN disclosed
CN-116716367-A Method for synthesizing 3' -methoxy guanosine diphosphate by multienzyme cascade reaction and application thereof 武汉糖智药业有限公司 2023-09-08 — — CN disclosed
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