SCHEMBL29771263

SCHEMBL29771263

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ STING1 Q86WV6 2/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TGM2 P21980 1/20 0.46

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
SCHEMBL31367285 0.90 HINT1 (0.49) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL12758342 0.87 HINT1 (0.52) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL12151803 0.87 HINT1 (0.52) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL1374868 0.87 HINT1 (0.52) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL7101375 0.87 ADORA3 (0.53) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL29908542 0.86 ADORA3 (0.52) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL28911222 0.85 HPGD (0.54) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL3734057 0.85 ADORA3 (0.51) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL3427138 0.84 ADORA3 (0.50) HINT1TAAR1HPGDGSK3ARPS6KA3
SCHEMBL18490626 0.84 ADORA3 (0.52) HINT1TAAR1HPGDGSK3ARPS6KA3

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-114853836-A Initial capped oligonucleotide primer containing GNA structure and preparation method and application thereof 江苏申基生物科技有限公司 2022-08-05 — — CN disclosed
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