SCHEMBL5698879

SCHEMBL5698879

Nc1nc2c(ncn2[C@@H]2O[C@H](COC3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 7/20 0.63
▸ NT5E P21589 1/20 0.63
▸ GSK3A P49840 2/20 0.60
▸ RPS6KA3 P51812 2/20 0.60
▸ MAPK14 Q16539 2/20 0.60
▸ TGM2 P21980 1/20 0.59
▸ PNP P00491 1/20 0.57
▸ FUT5 Q11128 1/20 0.55
▸ KRAS P01116 6/20 0.54
▸ P2RY2 P41231 1/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ P2RY6 Q15077 1/20 0.52

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
SCHEMBL7030275 1.00 HINT1 (0.63) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL7034680 0.89 HINT1 (0.50) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5549083 0.87 HINT1 (0.65) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1274196 0.87 HINT1 (0.65) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL1164486 0.86 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL14957138 0.86 HINT1 (0.64) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL599196 0.86 HINT1 (0.68) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL18520136 0.85 HINT1 (0.69) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL2275000 0.84 HINT1 (0.66) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL3970953 0.84 HINT1 (0.73) HINT1NT5EGSK3ARPS6KA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018007-B1 ADDRESSABLE MODULAR RECOGNITION SYSTEM, PRODUCTION MODE AND USE NANOGEN RECOGNOMICS GMBH (DE) 2006-07-26 — — EP claimed
EP-1018007-B1 ADDRESSABLE MODULAR RECOGNITION SYSTEM, PRODUCTION MODE AND USE NANOGEN RECOGNOMICS GMBH (DE) 2006-07-26 — — EP disclosed
EP-1018007-A1 ADDRESSABLE MODULAR RECOGNITION SYSTEM, PRODUCTION MODE AND USE Nanogen Recognomics GmbH (DE) 2000-07-12 — — EP disclosed
WO-1999015893-A1 ADDRESSABLE MODULAR RECOGNITION SYSTEM, PRODUCTION MODE AND USE AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 — — WO disclosed
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