SCHEMBL16561344

SCHEMBL16561344

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.49
▸ NT5E P21589 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ KRAS P01116 5/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA2B P29275 1/20 0.43

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
SCHEMBL14896399 0.88 HINT1 (0.49) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL6037194 0.85 HINT1 (0.56) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL13715923 0.84 HPGD (0.54) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL3918431 0.84 HPGD (0.54) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL13744021 0.84 HPGD (0.54) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL16561357 0.83 ADORA3 (0.59) TAS1R3TAS1R1ADORA2AADORA2B
SCHEMBL6748231 0.81 HINT1 (0.47) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL7101380 0.81 HPGD (0.60) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL23679991 0.80 HINT1 (0.61) HINT1NT5EHPGDGSK3ARPS6KA3
SCHEMBL1639395 0.80 HINT1 (0.61) HINT1NT5EHPGDGSK3ARPS6KA3

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-8981076-B2 Synthesis of N-FMOC protected deoxy nucleosides, ribo nucleosides, modified deoxy and ribo nucleosides, and phosphoramidites, and their use in oligonucleotide synthesis CHEMGENES CORPORATION (US) 2015-03-17 — — US disclosed
Send feedback