SCHEMBL8540429

SCHEMBL8540429

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N=CN(C)C)ncnc43)C(O)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.64
ADORA1 P30542 3/20 0.54
SLC29A1 Q99808 3/20 0.46
PRKAG1 P54619 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45

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
SCHEMBL8540427 1.00 TYMP (0.64) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL6009420 0.89 TYMP (0.51) TYMPADORA1SLC29A1
SCHEMBL13715725 0.89 TYMP (0.51) TYMPADORA1SLC29A1
SCHEMBL8535802 0.86 TYMP (0.49) TYMPADORA1SLC29A1
SCHEMBL23630131 0.85 TYMP (0.72) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL20579728 0.85 TYMP (0.72) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL22458251 0.84 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL29649671 0.84 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL24201469 0.84 TYMP (0.86) TYMPADORA1SLC29A1PRKAG1PRKAA1
SCHEMBL8359104 0.84 ADORA1 (0.75) TYMPADORA1PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682670-B1 DEOXYGENATION OF CIS VICINAL DIOLS RAYLO CHEMICALS INC (CA) 1998-05-06 EP claimed
EP-0682670-B1 DEOXYGENATION OF CIS VICINAL DIOLS RAYLO CHEMICALS INC (CA) 1998-05-06 EP disclosed
US-5410033-A Deoxygenation of cis vicinal diols to make didehydro dideoxy nucleosidies and synthetic intermediates TEROCHEM LABORATORIES LIMITED (CA) 1995-04-25 US disclosed