SCHEMBL9689146

SCHEMBL9689146

CN(CCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 18/20 0.63
ATIC P31939 2/20 0.63
DHFR P00374 1/20 0.55
MTHFD1 P11586 1/20 0.51
MTHFD2 P13995 1/20 0.51

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
SCHEMBL9688511 0.96 GART (0.67) GARTATICDHFR
SCHEMBL9689132 0.94 GART (0.71) GARTATICDHFRMTHFD1MTHFD2
SCHEMBL9688755 0.90 GART (0.76) GARTATICDHFR
SCHEMBL9689166 0.85 GART (0.65) GARTATICDHFR
SCHEMBL9687649 0.83 GART (0.66) GARTATICMTHFD1MTHFD2
SCHEMBL9688385 0.81 GART (0.70) GARTATIC
SCHEMBL10520880 0.80 GART (0.56) GARTATICDHFR
SCHEMBL9689397 0.79 GART (0.73) GARTATICDHFR
SCHEMBL8342590 0.79 GART (0.76) GARTATICMTHFD1MTHFD2
Dideazaacyclotetrahydrofolic Acid SCHEMBL14469101 0.77 GART (1.00) GARTATIC

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-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP claimed