SCHEMBL9001752

SCHEMBL9001752

Nc1nc(O)c2c(n1)CCC2CCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.53
FOLR1 P15328 10/20 0.47
SLC46A1 Q96NT5 7/20 0.47
SLC19A1 P41440 5/20 0.47
ATIC P31939 4/20 0.47
FOLR2 P14207 3/20 0.47
SHMT1 P34896 2/20 0.45
SHMT2 P34897 2/20 0.45

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
SCHEMBL9001769 0.95 FOLR1 (0.49) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL8563180 0.87 FOLR1 (0.51) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9001801 0.84 DHFR (0.53) GARTATIC
SCHEMBL9001791 0.84 ATIC (0.46) GARTFOLR1ATICFOLR2
SCHEMBL9001822 0.83 DHFR (0.43) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9001764 0.82 DHFR (0.42) GART
SCHEMBL9001799 0.81 DHFR (0.54) GARTATIC
SCHEMBL9001930 0.81 ATIC (0.48) GARTFOLR1ATICFOLR2
SCHEMBL9439358 0.81 GART (0.58) GARTFOLR1SLC46A1SLC19A1ATIC
SCHEMBL9439574 0.79 GART (0.62) GARTFOLR1SLC46A1SLC19A1ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed