SCHEMBL9844813

SCHEMBL9844813

Nc1nc(O)c2cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 16/20 0.68
SLC46A1 Q96NT5 12/20 0.68
GART P22102 11/20 0.68
FOLR2 P14207 7/20 0.68
SLC19A1 P41440 6/20 0.68
ATIC P31939 4/20 0.57
SHMT1 P34896 2/20 0.50
SHMT2 P34897 2/20 0.50

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
SCHEMBL9844899 0.84 GART (0.68) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL9844849 0.84 GART (0.67) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL9844870 0.83 FOLR1 (0.62) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL9224790 0.81 GART (0.64) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3161287 0.81 GART (1.00) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3161261 0.81 GART (1.00) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3162474 0.81 FOLR1 (1.00) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3162499 0.81 FOLR1 (1.00) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL9439839 0.80 FOLR1 (0.74) FOLR1SLC46A1GARTFOLR2SLC19A1
SCHEMBL3148915 0.80 GART (1.00) FOLR1SLC46A1GARTFOLR2SLC19A1

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