SCHEMBL16485408

SCHEMBL16485408

C=NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.63
ALPI P09923 1/20 0.63
PKM P14618 1/20 0.63
PTGS1 P23219 1/20 0.63
XIAP P98170 1/20 0.63
SLC15A1 P46059 1/20 0.54
LTA4H P09960 1/20 0.51
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
HDAC8 Q9BY41 2/20 0.49
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 2/20 0.47
CTSC P53634 1/20 0.46
LAP3 P28838 3/20 0.46
ANPEP P15144 2/20 0.46
SRR Q9GZT4 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44

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
SCHEMBL12292763 0.83 SLC7A5 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL4316655 0.80 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18423201 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL11519315 0.79 SLC7A5 (0.92) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30468196 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL9055240 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL23159186 0.78 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL385804 0.78 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL8119 0.78 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL16398196 0.78 SLC7A5 (1.00) SLC7A5ALPIPKMPTGS1XIAP

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
WO-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 WO disclosed