SCHEMBL9380609

SCHEMBL9380609

Nc1nc(O)c2c(n1)NCC(CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1)C2

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.59
GART P22102 12/20 0.58
FOLR1 P15328 10/20 0.47
SLC46A1 Q96NT5 7/20 0.47
SLC19A1 P41440 5/20 0.47
FOLR2 P14207 3/20 0.47
ATIC P31939 2/20 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
SCHEMBL9381796 1.00 DHFR (0.59) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL14403392 1.00 DHFR (0.59) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL9381786 1.00 DHFR (0.59) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL9383067 1.00 DHFR (0.59) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL7485663 0.97 DHFR (0.57) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL7488019 0.97 DHFR (0.57) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL9383118 0.94 DHFR (0.55) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL9381055 0.94 DHFR (0.55) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL7482074 0.93 DHFR (0.55) DHFRGARTFOLR1SLC46A1SLC19A1
SCHEMBL7482065 0.92 DHFR (0.54) DHFRGARTFOLR1SLC46A1SLC19A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343801-B1 N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives UNIV PRINCETON (US) 1994-08-03 EP claimed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 US claimed
EP-0343801-B1 N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives UNIV PRINCETON (US) 1994-08-03 EP disclosed
EP-0343801-A2 N-(5,6,7,8-tetrahydropyrido(2,3-D)pyrimidin-6-yl-alkanoyl)-glutamic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-29 EP disclosed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 US disclosed
US-4882334-A ANTITUMOR AGENTS INHIBIT ENZYMES WHICH USE FOLIC ACID OR ITS METABOLITES AS SUBSTRATE; ANTICARCINOGENIC THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-11-21 US disclosed