SCHEMBL8018583

SCHEMBL8018583

Nc1nc(O)c2c(n1)NCC(CCc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)n[nH]1)C2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GART P22102 11/20 0.54
DHFR P00374 3/20 0.43
FOLR1 P15328 2/20 0.41
ATIC P31939 2/20 0.40

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
SCHEMBL7499714 1.00 GART (0.54) GARTDHFRFOLR1ATIC
SCHEMBL8017846 0.87 GART (0.40) GARTDHFRFOLR1
SCHEMBL8017849 0.87 GART (0.40) GARTDHFRFOLR1
SCHEMBL8819976 0.86 GART (0.59) GARTDHFRATIC
SCHEMBL7491867 0.86 GART (0.57) GARTDHFRATIC
SCHEMBL7495598 0.86 GART (0.53) GARTDHFRFOLR1ATIC
SCHEMBL7497232 0.86 GART (0.52) GARTDHFRFOLR1ATIC
SCHEMBL7553633 0.85 GART (0.58) GARTDHFRATIC
SCHEMBL7494031 0.85 GART (0.54) GARTDHFRATIC
SCHEMBL7496781 0.85 GART (0.58) GARTDHFRATIC

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
US-6066639-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-05-23 US disclosed