SCHEMBL29258522

SCHEMBL29258522

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@]2(O)Cl)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ IMPDH2 P12268 6/20 0.54
▸ TGM2 P21980 1/20 0.53
▸ TAS1R3 Q7RTX0 2/20 0.52
▸ TAS1R1 Q7RTX1 2/20 0.52
▸ IMPDH1 P20839 2/20 0.52
▸ KRAS P01116 7/20 0.51
▸ FUT5 Q11128 1/20 0.48
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48

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
SCHEMBL26025242 0.92 NT5E (0.56) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12231404 0.90 NT5E (0.58) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL10819909 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12939473 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL1577230 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12194800 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL15468735 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL4409827 0.89 NT5E (0.57) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL843560 0.88 NT5E (0.56) NT5EPOLBIMPDH2TGM2TAS1R3
SCHEMBL12849790 0.86 NT5E (0.56) NT5EPOLBIMPDH2TGM2TAS1R3

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
Send feedback