SCHEMBL9569587

SCHEMBL9569587

Cc1cn(CC/C=C/P(=O)(O)O)c(=O)[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.58
TK1 P04183 4/20 0.47
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
TK2 O00142 1/20 0.41

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
SCHEMBL9569598 1.00 TYMP (0.58) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569744 0.92 TYMP (0.55) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569742 0.92 TYMP (0.55) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569431 0.83 TYMP (0.48) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569426 0.83 TYMP (0.48) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569664 0.81 TYMP (0.52) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569651 0.81 TYMP (0.52) TYMPTK1MAPK1HPGDTK2
SCHEMBL9569745 0.80 TYMP (0.45) TYMPTK1MAPK1HPGD
SCHEMBL9569743 0.80 TYMP (0.45) TYMPTK1MAPK1HPGD
SCHEMBL9569511 0.79 TYMP (0.53) TYMPTK1MAPK1HPGDTK2

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-0532423-A1 Novel unsaturated acyclic phosphonate derivatives of purine and pyrimidine MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-17 EP claimed