SCHEMBL7087166

SCHEMBL7087166

Nc1ccc(C[C@H](N)C(=O)OS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC15A1 P46059 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
LTA4H P09960 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 1/20 0.40
SOAT1 P35610 1/20 0.39

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
SCHEMBL5501203 0.79 ALPI (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL28872276 0.78 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL7155008 0.78 ALPI (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL21553135 0.77 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8610379 0.77 ALPI (0.56) SLC7A5ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL16207858 0.76 SLC7A5 (0.81) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27746572 0.76 ALPI (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL27831833 0.76 ALPI (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8033191 0.75 SLC15A1 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22206247 0.75 ALPI (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003079974-A2 INTEGRIN LIGAND THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2003-10-02 WO disclosed
WO-2003048127-A1 AROMATIC HETEROCYCLIC NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2003-06-12 WO disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed