SCHEMBL9844878

SCHEMBL9844878

Nc1nc(O)c2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)sc2n1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 6/20 0.72
FOLR2 P14207 4/20 0.65
FOLR1 P15328 4/20 0.65
ATIC P31939 4/20 0.65
DHFR P00374 9/20 0.56
TYMS P04818 1/20 0.54
SLC46A1 Q96NT5 1/20 0.52

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
SCHEMBL9844791 0.95 GART (0.73) GARTFOLR2FOLR1ATICDHFR
SCHEMBL9844801 0.82 DHFR (0.60) GARTDHFRTYMS
SCHEMBL9535831 0.81 GART (0.72) GARTATICDHFRTYMS
SCHEMBL9844849 0.81 GART (0.67) GARTFOLR2FOLR1ATICDHFR
SCHEMBL10405409 0.80 DHFR (0.63) GARTFOLR2FOLR1ATICDHFR
SCHEMBL9844795 0.80 DHFR (0.60) GARTFOLR2FOLR1ATICDHFR
SCHEMBL9844785 0.79 DHFR (0.55) GARTFOLR2FOLR1DHFRTYMS
SCHEMBL9227836 0.79 DHFR (0.57) GARTFOLR2FOLR1ATICDHFR
SCHEMBL9339136 0.79 GART (0.68) GARTFOLR2FOLR1ATICDHFR
SCHEMBL9224790 0.79 GART (0.64) GARTFOLR2FOLR1ATICDHFR

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