SCHEMBL29258529

SCHEMBL29258529

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.65
▸ TGM2 P21980 1/20 0.61
▸ IMPDH2 P12268 7/20 0.60
▸ IMPDH1 P20839 2/20 0.60
▸ TAS1R3 Q7RTX0 2/20 0.59
▸ TAS1R1 Q7RTX1 2/20 0.59
▸ KRAS P01116 7/20 0.56
▸ FUT5 Q11128 1/20 0.55
▸ HINT1 P49773 1/20 0.54

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
SCHEMBL13638721 0.93 NT5E (0.65) NT5ETGM2IMPDH2IMPDH1TAS1R3
SCHEMBL30888422 0.93 NT5E (0.65) NT5ETGM2IMPDH2IMPDH1TAS1R3
SCHEMBL18648317 0.93 TGM2 (0.65) NT5ETGM2TAS1R3TAS1R1KRAS
SCHEMBL15794923 0.93 TGM2 (0.65) NT5ETGM2TAS1R3TAS1R1KRAS
SCHEMBL15747232 0.93 TGM2 (0.65) NT5ETGM2TAS1R3TAS1R1KRAS
SCHEMBL20850290 0.93 TGM2 (0.65) NT5ETGM2TAS1R3TAS1R1KRAS
Phosphoric Acid SCHEMBL21465187 0.89 ALDH1A1 (0.62) NT5ETGM2KRASFUT5HINT1
Phosphoric Acid SCHEMBL21465181 0.89 ALDH1A1 (0.62) NT5ETGM2KRASFUT5HINT1
Phosphoric Acid SCHEMBL21465174 0.89 ALDH1A1 (0.62) NT5ETGM2KRASFUT5HINT1
SCHEMBL14580418 0.88 ALDH1A1 (0.66) NT5ETGM2HINT1

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
CN-118109537-A Application of halogenating enzyme in catalytic synthesis of 2' -halogenated nucleoside monophosphate 香港中文大学(深圳) 2024-05-31 — — CN disclosed
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