SCHEMBL10080938

SCHEMBL10080938

CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cn1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 18/20 0.75
KMT2A Q03164 2/20 0.55
RXFP1 Q9HBX9 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL10080939 0.86 GAA (0.64) GAAKMT2ARXFP1POLBTDP1
SCHEMBL2720573 0.86 GAA (1.00) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10080934 0.85 GAA (0.75) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10080937 0.85 GAA (0.67) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10081895 0.84 GAA (0.53) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10080936 0.82 GAA (0.74) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10081897 0.77 GAA (0.54) GAAKMT2ARXFP1POLBTDP1
SCHEMBL10081891 0.76 KCNH2 (0.45) GAAKMT2AMEN1SMN1; SMN2
SCHEMBL10080940 0.73 GAA (0.65) GAAKMT2ARXFP1POLBTDP1
SCHEMBL29477262 0.71 GAA (1.00) GAAKMT2ARXFP1POLBTDP1

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-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