SCHEMBL9844774

SCHEMBL9844774

Nc1nc(O)c2c(n1)CC(CCCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 6/20 0.55
DHFR P00374 6/20 0.54
ATIC P31939 1/20 0.51
TYMS P04818 1/20 0.49
FOLR2 P14207 1/20 0.48
FOLR1 P15328 1/20 0.48
SLC46A1 Q96NT5 1/20 0.48

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
SCHEMBL9844741 0.95 GART (0.60) GARTDHFRATICTYMS
SCHEMBL9446088 0.93 GART (0.53) GARTDHFRATIC
SCHEMBL9048275 0.87 GART (0.69) GARTDHFRATIC
SCHEMBL9446091 0.85 DHFR (0.57) GARTDHFRATIC
SCHEMBL9844788 0.83 GART (0.60) GARTDHFRATICTYMSFOLR2
SCHEMBL9001799 0.82 DHFR (0.54) GARTDHFRATICTYMS
SCHEMBL9844829 0.82 DHFR (0.51) GARTDHFRATICTYMS
Lometrexol SCHEMBL12022771 0.81 GART (0.75) GARTDHFRATICTYMS
Lometrexol SCHEMBL9045915 0.81 GART (0.75) GARTDHFRATICTYMS
SCHEMBL9050048 0.81 GART (0.61) GARTDHFRATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP claimed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed