SCHEMBL20870831

SCHEMBL20870831

COC(C)(C)C1C(O)C(CO)OC1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.60
▸ HINT1 P49773 6/20 0.56
▸ NT5E P21589 1/20 0.54
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ PNP P00491 2/20 0.50
▸ TGM2 P21980 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ ADORA2B P29275 1/20 0.50
▸ PAX8 Q06710 1/20 0.48
▸ KRAS P01116 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
SCHEMBL1875985 0.85 HPGD (0.71) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL12300426 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL16198946 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL26515 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL12150640 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL12031119 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL1744361 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL222316 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL16360143 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3
SCHEMBL3713950 0.85 HPGD (0.61) HPGDHINT1NT5EGSK3ARPS6KA3

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
WO-2019067979-A1 COMBINATION THERAPIES FOR TREATING MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. (US) 2019-04-04 — — WO disclosed
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