SCHEMBL9844879

SCHEMBL9844879

Cc1nc(O)c2c(n1)N(C)CC2CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.48
GART P22102 6/20 0.47
DHFR P00374 4/20 0.46
TYMS P04818 2/20 0.46

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
SCHEMBL9844789 0.95 GART (0.48) ATICGARTDHFRTYMS
SCHEMBL9844885 0.91 ATIC (0.51) ATICGARTDHFRTYMS
SCHEMBL9844754 0.91 ATIC (0.51) ATICGARTDHFRTYMS
SCHEMBL9844736 0.87 GART (0.49) ATICGARTDHFRTYMS
SCHEMBL9844814 0.86 DHFR (0.52) ATICGARTDHFRTYMS
SCHEMBL9844836 0.82 DHFR (0.47) ATICGARTDHFR
SCHEMBL9844794 0.82 DHFR (0.51) ATICGARTDHFRTYMS
SCHEMBL9844784 0.78 KDM4E (0.43) ATICDHFRTYMS
SCHEMBL9844782 0.78 KDM4E (0.43) ATICDHFRTYMS
SCHEMBL9844818 0.77 DHFR (0.54) ATICGARTDHFR

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