SCHEMBL9564229

SCHEMBL9564229

CCOC(=O)CC[C@H](NC(=O)c1ccc(Cc2c[nH]c3nc(N)nc(O)c23)s1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLR1 P15328 4/20 0.46
SLC19A1 P41440 4/20 0.46
SLC46A1 Q96NT5 4/20 0.46
GART P22102 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 6/20 0.41
TYMS P04818 3/20 0.41
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.36

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
SCHEMBL9439656 0.91 FOLR1 (0.56) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9439664 0.91 FOLR1 (0.56) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9564238 0.85 DHFR (0.53) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9564235 0.85 DHFR (0.53) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9439954 0.84 FOLR1 (0.57) FOLR1SLC19A1SLC46A1GARTDHFR
SCHEMBL9439960 0.84 FOLR1 (0.57) FOLR1SLC19A1SLC46A1GARTDHFR
SCHEMBL9564163 0.84 FOLR1 (0.62) FOLR1SLC19A1SLC46A1GARTDHFR
SCHEMBL9564217 0.81 L3MBTL1 (0.45) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9564219 0.81 L3MBTL1 (0.45) FOLR1SLC19A1SLC46A1GARTL3MBTL1
SCHEMBL9042447 0.81 DHFR (0.64) FOLR1SLC19A1SLC46A1GARTL3MBTL1

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
EP-0549291-A1 Thymidylate synthase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed