SCHEMBL5960204

SCHEMBL5960204

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)C2S)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.69
▸ HPGD P15428 1/20 0.55
▸ HINT1 P49773 4/20 0.53
▸ GSK3A P49840 2/20 0.51
▸ RPS6KA3 P51812 2/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ NT5E P21589 1/20 0.49
▸ TAAR1 Q96RJ0 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
SCHEMBL6420722 0.94 TYMP (0.79) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL1738400 0.90 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL18042134 0.90 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL16702978 0.90 TYMP (0.68) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL28827051 0.89 TYMP (0.65) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL21905181 0.89 TYMP (0.67) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL8958859 0.89 TYMP (0.64) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL19127268 0.88 TYMP (0.63) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL1904550 0.87 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL10904155 0.87 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14

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
EP-1626086-A2 Double-stranded nucleic acid molecules with novel chemical compositions capable of modulating gene expression RIBOZYME PHARMACEUTICALS, INC. (US) 2006-02-15 — — EP disclosed
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