SCHEMBL9439358

SCHEMBL9439358

Nc1nc(O)c2c(n1)NCC2CCCc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GART P22102 11/20 0.58
FOLR1 P15328 11/20 0.52
ATIC P31939 5/20 0.52
FOLR2 P14207 4/20 0.52
SLC46A1 Q96NT5 8/20 0.51
SLC19A1 P41440 5/20 0.51
SHMT1 P34896 3/20 0.49
SHMT2 P34897 3/20 0.49

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
SCHEMBL9439570 0.92 GART (0.58) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9439574 0.87 GART (0.62) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9001769 0.86 FOLR1 (0.49) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL8997205 0.86 GART (0.60) GARTATIC
SCHEMBL9859644 0.85 GART (0.42) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9859650 0.85 GART (0.42) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9042885 0.84 GART (0.48) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9380609 0.84 DHFR (0.59) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9381796 0.84 DHFR (0.59) GARTFOLR1ATICFOLR2SLC46A1
SCHEMBL9383067 0.84 DHFR (0.59) GARTFOLR1ATICFOLR2SLC46A1

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-5354754-A Antitumor and -carcinogenic agents; treating human epidermoid carcinoma KB TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed