SCHEMBL2444656

SCHEMBL2444656

Nc1nc2c(ncn2[C@@H]2O[C@H](COOO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.62
TGM2 P21980 1/20 0.58
HINT1 P49773 4/20 0.56
FUT5 Q11128 1/20 0.54
KRAS P01116 5/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
IMPDH2 P12268 5/20 0.53
IMPDH1 P20839 1/20 0.53
GSK3A P49840 2/20 0.53
RPS6KA3 P51812 2/20 0.53
MAPK14 Q16539 2/20 0.53

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
SCHEMBL17586739 0.91 NT5E (0.69) NT5ETGM2HINT1FUT5KRAS
SCHEMBL2826595 0.91 NT5E (0.64) NT5ETGM2HINT1FUT5KRAS
SCHEMBL2315499 0.91 NT5E (0.69) NT5ETGM2HINT1FUT5KRAS
SCHEMBL14659955 0.90 NT5E (0.63) NT5ETGM2HINT1FUT5KRAS
SCHEMBL94114 0.89 NT5E (0.64) NT5ETGM2HINT1FUT5KRAS
SCHEMBL1533806 0.89 NT5E (0.64) NT5ETGM2HINT1FUT5KRAS
SCHEMBL1971280 0.89 NT5E (0.64) NT5ETGM2HINT1FUT5KRAS
SCHEMBL1971274 0.89 NT5E (0.64) NT5ETGM2HINT1FUT5KRAS
SCHEMBL3294912 0.88 NT5E (0.63) NT5ETGM2HINT1FUT5KRAS
SCHEMBL4308355 0.88 TGM2 (0.70) NT5ETGM2FUT5KRASIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028836-A1 IONIC-GROUP-CONTAINING MICROBALLOON AND PRODUCTION METHOD THEREFOR TOKUYAMA CORPORATION (JP) 2023-01-26 US disclosed
EP-1600482-B1 Liquid composition for metachromatic members, and its use PILOT INK CO LTD (JP) 2018-04-04 EP disclosed
US-8025961-B2 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2011-09-27 US disclosed
US-7632564-B2 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2009-12-15 US disclosed
US-20090071370-A1 LIQUID COMPOSITION FOR METACHROMATIC MEMBERS, AND METACHROMATIC MEMBER SET MAKING USE OF THE SAME THE PILOT INK CO., LTD. (JP) 2009-03-19 US disclosed
EP-1600482-A1 Liquid composition for metachromatic members, and its use THE PILOT INK CO., LTD. (JP) 2005-11-30 EP disclosed
US-20050260362-A1 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2005-11-24 US disclosed