SCHEMBL9569550

SCHEMBL9569550

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

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.59
MAPK1 P28482 1/20 0.41
TK1 P04183 6/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL9569567 1.00 TYMP (0.59) TYMPMAPK1TK1HPGD
SCHEMBL9569763 0.88 TYMP (0.51) TYMPMAPK1TK1HPGD
SCHEMBL9569762 0.88 TYMP (0.51) TYMPMAPK1TK1HPGD
SCHEMBL9569764 0.88 TYMP (0.51) TYMPMAPK1TK1HPGD
SCHEMBL9569465 0.86 TYMP (0.52) TYMPMAPK1TK1HPGD
SCHEMBL9569480 0.86 TYMP (0.52) TYMPMAPK1TK1HPGD
SCHEMBL9569471 0.86 TYMP (0.52) TYMPMAPK1TK1HPGD
SCHEMBL9569640 0.85 TYMP (0.56) TYMPMAPK1TK1HPGD
SCHEMBL9569657 0.85 TYMP (0.56) TYMPMAPK1TK1HPGD
SCHEMBL9569648 0.85 TYMP (0.56) TYMPMAPK1TK1HPGD

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