SCHEMBL2401972

SCHEMBL2401972

O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1.[Na].[Na]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 1.00
HSD17B10 Q99714 3/20 1.00
PTPN7 P35236 2/20 1.00
ALOX15 P16050 2/20 1.00
PTPRC P08575 1/20 1.00
PTPN1 P18031 1/20 1.00
PTPN6 P29350 1/20 1.00
PTPRJ Q12913 1/20 1.00
DUSP26 Q9BV47 1/20 1.00
CYP1A2 P05177 4/20 0.66
HIF1A Q16665 4/20 0.66
HPGD P15428 1/20 0.66
GLO1 Q04760 3/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CASP6 P55212 1/20 0.47
ATM Q13315 1/20 0.47
KLF5 Q13887 1/20 0.47

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
SCHEMBL13738903 1.00 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL13738901 1.00 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL14154415 1.00 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL30542884 1.00 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL29391398 1.00 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL2401966 0.99 PTPN11 (0.98) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL18874952 0.88 PTPN11 (0.79) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL391667 0.86 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL31186847 0.86 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC
SCHEMBL2401970 0.86 PTPN11 (1.00) PTPN11HSD17B10PTPN7ALOX15PTPRC

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-2011110546-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN INHIBITOR OF SHP-2 AND SCREENING METHOD MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2011-09-15 WO disclosed