SCHEMBL9048103

SCHEMBL9048103

NC(=O)CC[C@H](NC(=O)c1csc(CCn2cnc3nc(N)cc-3c2O)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GART P22102 9/20 0.44
FOLR1 P15328 6/20 0.44
FOLR2 P14207 5/20 0.44
ATIC P31939 8/20 0.43
SLC46A1 Q96NT5 3/20 0.43
SLC19A1 P41440 2/20 0.43
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
DHFR P00374 2/20 0.35
SHMT1 P34896 6/20 0.34
SHMT2 P34897 6/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9044131 0.94 GART (0.50) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9044532 0.87 ATIC (0.46) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9047497 0.87 GART (0.42) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9044214 0.85 DHFR (0.46) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9043298 0.81 FOLR1 (0.48) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9044516 0.81 ATIC (0.52) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL573199 0.79 DHFR (0.52) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9342476 0.77 ATIC (0.48) GARTFOLR1FOLR2ATICDHFR
SCHEMBL9049515 0.76 CA2 (0.44) GARTFOLR1FOLR2ATICSLC46A1
SCHEMBL9045385 0.76 FOLR2 (0.51) GARTFOLR1FOLR2ATICSLC46A1

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-0432677-B1 N-(pyrrolo[2,3-d]pyrimidin-3-ylacyl)-glutamic acid derivatives UNIV PRINCETON (US) 1996-03-06 EP claimed