SCHEMBL9794844

SCHEMBL9794844

Nc1nc(N)c(CCCSc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 20/20 1.00
ATIC P31939 3/20 0.77
FOLR2 P14207 1/20 0.68
FOLR1 P15328 1/20 0.68
SLC46A1 Q96NT5 1/20 0.68
SHMT1 P34896 1/20 0.66
SHMT2 P34897 1/20 0.66

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
Dideazaacyclotetrahydrofolic Acid SCHEMBL14469101 0.87 GART (1.00) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL5491752 0.87 GART (0.82) GARTATIC
SCHEMBL5673952 0.87 GART (0.82) GARTATIC
SCHEMBL9794911 0.86 GART (1.00) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL7615527 0.86 GART (0.81) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL9688062 0.85 GART (0.79) GARTATIC
SCHEMBL18160919 0.84 GART (1.00) GARTFOLR2FOLR1SLC46A1
SCHEMBL10419882 0.84 GART (0.80) GARTATIC
SCHEMBL7606988 0.84 GART (1.00) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL9794852 0.84 GART (0.72) GARTATICFOLR2FOLR1SLC46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409382-A1 Glutamic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP claimed
WO-1990014340-A1 GLUTAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-29 WO claimed
US-4921836-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-05-01 US claimed
EP-0409382-A1 Glutamic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
US-4921836-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-05-01 US disclosed