SCHEMBL9569742

SCHEMBL9569742

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.55
TK1 P04183 5/20 0.51
TK2 O00142 5/20 0.45
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9569744 1.00 TYMP (0.55) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569587 0.92 TYMP (0.58) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569598 0.92 TYMP (0.58) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569509 0.84 TK1 (0.51) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569522 0.84 TK1 (0.51) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569664 0.79 TYMP (0.52) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569651 0.79 TYMP (0.52) TYMPTK1TK2MAPK1HPGD
SCHEMBL9569745 0.78 TYMP (0.45) TYMPTK1MAPK1HPGD
SCHEMBL9569743 0.78 TYMP (0.45) TYMPTK1MAPK1HPGD
SCHEMBL15110503 0.78 TK2 (0.60) TYMPTK1TK2MAPK1HPGD

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