SCHEMBL13464176

SCHEMBL13464176

NC(CC(Cc1ccc([N+](=O)O)c(F)c1)C(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 3/20 0.54
▸ SLC1A3 P43003 1/20 0.54
▸ SLC1A2 P43004 1/20 0.54
▸ GRM2 Q14416 2/20 0.40
▸ GRM3 Q14832 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL12762351 0.89 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL12629279 0.89 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL13620595 0.85 SLC1A1 (0.49) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL13464177 0.81 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL12629318 0.81 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2RECQLGRIK1
SCHEMBL1117276 0.81 SLC1A3 (0.52) SLC1A1SLC1A3SLC1A2RECQLGRIK1
SCHEMBL12629319 0.81 ALDH1A1 (0.43) SLC1A1SLC1A3SLC1A2KDM4EUSP2
SCHEMBL15947420 0.80 SLC1A1 (0.57) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL13623320 0.77 SLC1A1 (0.57) SLC1A1SLC1A3SLC1A2GRM2GRM3
SCHEMBL12762356 0.77 SLC1A2 (0.54) SLC1A1SLC1A3SLC1A2GRM2GRM3

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
WO-2009141090-A9 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-25 — — WO disclosed
WO-2009141090-A1 {F-19} -LABELED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVE (III), USE THEREOF AND METHOD FOR OBTAINING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 — — WO disclosed
WO-2009141079-A1 NOVEL [F-18]-LABELLED L-GLUTAMIC ACID AND L-GLUTAMINE DERIVATIVES (II), USE THEREOF AND METHOD FOR THEIR PRODUCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 — — WO disclosed
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