SCHEMBL9844788

SCHEMBL9844788

Nc1nc(O)c2c(n1)NC(CCCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.60
DHFR P00374 4/20 0.53
ATIC P31939 3/20 0.51
TYMS P04818 1/20 0.50
FOLR2 P14207 1/20 0.49
FOLR1 P15328 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
SCHEMBL9219257 0.97 GART (0.57) GARTDHFRATICFOLR2FOLR1
SCHEMBL9844755 0.95 GART (0.57) GARTDHFRATICTYMS
SCHEMBL9844865 0.92 GART (0.60) GARTDHFRATICTYMS
SCHEMBL9223490 0.92 GART (0.54) GARTDHFRATICTYMS
SCHEMBL9219266 0.90 GART (0.50) GARTDHFRATICTYMSFOLR2
SCHEMBL9228261 0.90 GART (0.57) GARTDHFRATICFOLR2FOLR1
SCHEMBL9844758 0.87 GART (0.57) GARTDHFRATICTYMS
SCHEMBL9844876 0.87 GART (0.56) GARTDHFRATICFOLR2FOLR1
SCHEMBL9048275 0.87 GART (0.69) GARTDHFRATIC
SCHEMBL9223509 0.85 GART (0.47) GARTDHFRATICTYMS

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 disclosed