SCHEMBL2719035

SCHEMBL2719035

O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(CO)cc4)CC3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 19/20 1.00
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL2717953 0.88 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL2716754 0.85 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2
SCHEMBL2717423 0.85 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2TDP1
SCHEMBL2717892 0.85 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2POLB
SCHEMBL2718876 0.84 GAA (1.00) GAAKMT2APOLBRXFP1TDP1
SCHEMBL29477262 0.84 GAA (1.00) GAAKMT2APOLBRXFP1TDP1
SCHEMBL10080666 0.83 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2TDP1
SCHEMBL2718073 0.83 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2TDP1
SCHEMBL10080665 0.83 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2TDP1
SCHEMBL2718327 0.83 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012061597-A1 ALPHA-GLUCOSIDASE BINDERS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2012-05-10 WO disclosed
WO-2012061597-A1 ALPHA-GLUCOSIDASE BINDERS AND METHODS OF THEIR USE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2012-05-10 WO disclosed