SCHEMBL10080667

SCHEMBL10080667

CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(cc3Cl)NC(=O)C4)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.68
KMT2A Q03164 4/20 0.58
POLB P06746 3/20 0.52
RXFP1 Q9HBX9 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MGLL Q99685 2/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL10081899 0.85 MGLL (0.60) GAAKMT2APOLBMGLLALDH1A1
SCHEMBL10081895 0.85 GAA (0.53) GAAKMT2APOLBRXFP1TDP1
SCHEMBL2718633 0.84 GAA (0.67) GAAKMT2APOLBRXFP1TDP1
SCHEMBL2720573 0.81 GAA (1.00) GAAKMT2APOLBRXFP1TDP1
SCHEMBL10081888 0.80 MGLL (0.47) GAAKMT2AMGLLMAPT
SCHEMBL10081883 0.78 MGLL (0.49) GAAKMT2AMGLLMEN1
SCHEMBL10081885 0.77 MGLL (0.52) GAAKMT2APOLBMGLLALDH1A1
SCHEMBL10081891 0.77 KCNH2 (0.45) GAAKMT2AMGLLALDH1A1SMN1; SMN2
SCHEMBL2729628 0.74 NR3C1 (0.69) GAAKMT2APOLBRXFP1TDP1
SCHEMBL29477262 0.74 GAA (1.00) GAAKMT2APOLBRXFP1TDP1

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