SCHEMBL9794840

SCHEMBL9794840

Nc1nc(N)c(CCCSc2ccc(C(=O)O)cc2)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GART P22102 18/20 0.66
ATIC P31939 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
FOLR2 P14207 1/20 0.41
FOLR1 P15328 1/20 0.41
SLC46A1 Q96NT5 1/20 0.41

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
SCHEMBL9794872 0.85 GART (0.58) GARTATICMAPT
SCHEMBL9038667 0.83 GART (0.64) GARTATIC
SCHEMBL9794867 0.82 GART (0.66) GARTATICMAPT
SCHEMBL7608106 0.81 GART (0.50) GARTKDM4EMAPTFOLR2FOLR1
SCHEMBL9794844 0.80 GART (1.00) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL7609762 0.79 GART (0.66) GARTATICFOLR1
SCHEMBL8342572 0.76 GART (0.44) GARTATICKDM4EMAPT
SCHEMBL9794858 0.75 GART (0.72) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL9794852 0.75 GART (0.72) GARTATICFOLR2FOLR1SLC46A1
SCHEMBL24809445 0.74 GART (0.69) GARTFOLR2FOLR1SLC46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409382-A1 Glutamic acid derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
WO-1990014340-A1 GLUTAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-29 WO disclosed
US-4921836-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-05-01 US disclosed