SCHEMBL9844741

SCHEMBL9844741

Nc1nc(O)c2c(n1)CC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 4/20 0.60
DHFR P00374 6/20 0.53
TYMS P04818 1/20 0.51
ATIC P31939 1/20 0.49

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
SCHEMBL9844774 0.95 GART (0.55) GARTDHFRTYMSATIC
SCHEMBL9446088 0.87 GART (0.53) GARTDHFRATIC
Lometrexol SCHEMBL12022771 0.86 GART (0.75) GARTDHFRTYMSATIC
Lometrexol SCHEMBL9045915 0.86 GART (0.75) GARTDHFRTYMSATIC
SCHEMBL8698352 0.85 GART (0.64) GARTDHFRTYMSATIC
SCHEMBL7487513 0.83 GART (0.71) GARTDHFRTYMSATIC
SCHEMBL7488545 0.83 GART (0.71) GARTDHFRTYMSATIC
SCHEMBL9844755 0.82 GART (0.57) GARTDHFRTYMSATIC
SCHEMBL9048275 0.81 GART (0.69) GARTDHFRATIC
SCHEMBL9001801 0.81 DHFR (0.53) GARTDHFRTYMSATIC

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