SCHEMBL9219680

SCHEMBL9219680

NC(=O)CC[C@@H](NC(=O)c1ccc(CN(C=O)C[C@@H]2CNc3nc(N)nc(O)c3C2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.50
ATIC P31939 4/20 0.48
DHFR P00374 5/20 0.43
FPGS Q05932 1/20 0.43
TYMS P04818 1/20 0.39

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
SCHEMBL9215589 1.00 GART (0.50) GARTATICDHFRFPGSTYMS
SCHEMBL9216929 0.95 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9210960 0.95 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9210939 0.95 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9207767 0.95 GART (0.56) GARTATICDHFRTYMS
SCHEMBL9217671 0.86 GART (0.54) GARTATICDHFRFPGSTYMS
SCHEMBL9218459 0.86 GART (0.54) GARTATICDHFRFPGSTYMS
SCHEMBL9536776 0.85 GART (0.67) GARTATICDHFRFPGSTYMS
SCHEMBL9050048 0.84 GART (0.61) GARTATICDHFRFPGS
SCHEMBL7487523 0.83 GART (0.64) GARTATICDHFRFPGS

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-0344922-B1 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives UNIV PRINCETON (US) 1995-10-18 EP claimed