SCHEMBL8537889

SCHEMBL8537889

CCOC(=O)CC[C@H](Nc1cc(C)c(CC[C@H]2CNc3nc(N)[nH]c(=O)c3S2)s1)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GART P22102 11/20 0.63
FOLR1 P15328 3/20 0.63
ATIC P31939 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
MTHFD1 P11586 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7145433 0.87 GART (0.80) GARTFOLR1ATICMTHFD1
SCHEMBL7818728 0.81 GART (0.73) GARTFOLR1ATIC
SCHEMBL6996839 0.80 GART (0.66) GARTFOLR1ATICMAPK1
SCHEMBL6991867 0.77 GART (0.72) GARTFOLR1ATIC
SCHEMBL6993317 0.77 GART (0.72) GARTFOLR1ATIC
SCHEMBL7799132 0.75 GART (0.61) GARTFOLR1
SCHEMBL6897950 0.73 GART (0.36) GARTFOLR1
SCHEMBL6900347 0.72 GART (0.61) GARTFOLR1ATICMTHFD1
SCHEMBL7834566 0.72 GART (0.55) GARTFOLR1ATICMTHFD1
SCHEMBL7061251 0.69 GART (0.61) GARTFOLR1ATICMTHFD1

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-5981748-A Synthesis of optically pure compounds useful as GARFT inhibitors and their intermediates AGOURON PHARMACEUTICALS, INC. (US) 1999-11-09 US disclosed