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Sugi Predict / Compounds / SCHEMBL7488545

SCHEMBL7488545

SCHEMBL7488545

Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1)C2

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GART P22102 7/20 0.71
▸ DHFR P00374 2/20 0.54
▸ ATIC P31939 3/20 0.54
▸ TYMS P04818 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
Lometrexol SCHEMBL9045915 0.97 GART (0.75) GARTDHFRATICTYMS
Lometrexol SCHEMBL12022771 0.97 GART (0.75) GARTDHFRATICTYMS
SCHEMBL7488700 0.96 GART (0.66) GARTDHFRATICTYMS
SCHEMBL7487513 0.94 GART (0.71) GARTDHFRATICTYMS
SCHEMBL9048275 0.92 GART (0.69) GARTDHFRATIC
SCHEMBL9536776 0.91 GART (0.67) GARTDHFRATICTYMS
SCHEMBL9536119 0.90 GART (0.77) GARTDHFRATIC
SCHEMBL7487721 0.89 GART (0.65) GARTDHFRATIC
SCHEMBL8698352 0.89 GART (0.64) GARTDHFRATICTYMS
SCHEMBL9263123 0.89 GART (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761668-B1 Non-classical antifolates UNIV PRINCETON (US) 2002-01-30 — — EP claimed
EP-0761668-A2 Non-classical antifolates THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-03-12 — — EP claimed
EP-0761668-B1 Non-classical antifolates UNIV PRINCETON (US) 2002-01-30 — — EP disclosed
EP-0761668-A2 Non-classical antifolates THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1997-03-12 — — EP disclosed