SCHEMBL9216933

SCHEMBL9216933

CC(C)(C)C(=O)Nc1nc(O)c2c(n1)NCC(CNCc1cccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 8/20 0.45
ATIC P31939 3/20 0.40
FNTA P49354 3/20 0.39
FNTB P49356 3/20 0.39
PGGT1B P53609 1/20 0.37
TYMS P04818 1/20 0.36
SOST Q9BQB4 1/20 0.36

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
SCHEMBL9216949 1.00 GART (0.45) GARTATICFNTAFNTBPGGT1B
SCHEMBL9211571 0.92 GART (0.52) GARTATICTYMSSOST
SCHEMBL10570448 0.92 GART (0.52) GARTATICTYMSSOST
SCHEMBL10574300 0.88 GART (0.44) GARTATICTYMSSOST
SCHEMBL10574310 0.88 GART (0.44) GARTATICTYMSSOST
SCHEMBL10567798 0.88 GART (0.42) GARTATICTYMS
SCHEMBL10567793 0.88 GART (0.42) GARTATICTYMS
SCHEMBL8820727 0.82 GART (0.52) GARTATIC
SCHEMBL8820737 0.82 GART (0.52) GARTATIC
SCHEMBL9525469 0.80 GART (0.41) GARTFNTAFNTB

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 3 patents. 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 disclosed
EP-0344922-A2 N-(N-(tetrahydropyrido(2,3-d)pyrimidinylmethyl)-aminomethylbenzoyl)glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-12-06 EP disclosed
US-4871746-A N-[N-(tetrahydropyrido[2,3-D]pyrimidinylmethyl)-aminomethylbenzoyl]glutamic acid derivatives as neoplastic growth inhibitors THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-10-03 US disclosed