SCHEMBL9211704

SCHEMBL9211704

Nc1nc(O)c2c(n1)NCC(CNCc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GART P22102 7/20 0.60
ATIC P31939 3/20 0.52
DHFR P00374 2/20 0.50
TYMS P04818 1/20 0.50
SOST Q9BQB4 1/20 0.47

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
SCHEMBL9207703 1.00 GART (0.60) GARTATICDHFRTYMSSOST
SCHEMBL9211691 1.00 GART (0.60) GARTATICDHFRTYMSSOST
SCHEMBL9216180 1.00 GART (0.60) GARTATICDHFRTYMSSOST
SCHEMBL9217671 0.94 GART (0.54) GARTATICDHFRTYMS
SCHEMBL9218459 0.94 GART (0.54) GARTATICDHFRTYMS
SCHEMBL9263123 0.91 GART (0.63) GARTATICDHFRTYMS
Lometrexol SCHEMBL12022771 0.89 GART (0.75) GARTATICDHFRTYMS
Lometrexol SCHEMBL9045915 0.89 GART (0.75) GARTATICDHFRTYMS
SCHEMBL9048275 0.88 GART (0.69) GARTATICDHFR
SCHEMBL7487513 0.86 GART (0.71) GARTATICDHFRTYMS

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