SCHEMBL28547642

SCHEMBL28547642

N=C(N)NC[C@H](Cc1ccc(I)cc1)C[C@H](N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MMP2 P08253 1/20 0.40
SLC7A5 Q01650 3/20 0.40
PTGS1 P23219 2/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
XIAP P98170 1/20 0.39
TPH1 P17752 1/20 0.38
DPP4 P27487 1/20 0.36
GRB2 P62993 1/20 0.35
HIF1A Q16665 3/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL28547644 1.00 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MMP2SLC7A5
SCHEMBL30444607 0.80 PTPN1 (0.39) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
Iodofalan SCHEMBL44619 0.74 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Iodofalan SCHEMBL44618 0.74 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Iodofalan SCHEMBL44620 0.74 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1819865 0.73 SLC1A1 (0.73) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
SCHEMBL9818606 0.73 SLC1A1 (0.46) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL1818259 0.73 SLC1A1 (0.73) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
SCHEMBL1819970 0.73 SLC1A1 (0.73) SLC1A3SLC1A2SLC1A1SLC7A5PTGS1
Iodofalan SCHEMBL23824892 0.72 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP

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
CN-109593052-B Radioactive arginine derivatives for diagnosis and treatment and preparation method thereof 首都医科大学 2021-04-20 CN disclosed