SCHEMBL7834566

SCHEMBL7834566

Cc1cc(N[C@@H](CCC(N)=O)C(=O)O)sc1CCC1CNc2nc(N)[nH]c(=O)c2C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GART P22102 13/20 0.55
FOLR1 P15328 3/20 0.52
ATIC P31939 3/20 0.43
FPGS Q05932 2/20 0.42
SOST Q9BQB4 1/20 0.37
MTHFD1 P11586 1/20 0.36

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
SCHEMBL6899009 0.95 GART (0.61) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL6899022 0.95 GART (0.61) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL6900347 0.95 GART (0.61) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL26910492 0.83 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL13927981 0.83 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
Pelitrexol SCHEMBL13916067 0.83 GART (0.74) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL6900553 0.82 GART (0.47) GARTFOLR1ATIC
SCHEMBL7145433 0.79 GART (0.80) GARTFOLR1ATICSOSTMTHFD1
SCHEMBL7745908 0.73 GART (0.75) GARTFOLR1ATIC
SCHEMBL8537889 0.72 GART (0.63) GARTFOLR1ATICMTHFD1

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-0773943-B1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMA (US) 2001-09-26 EP claimed