SCHEMBL2720518

SCHEMBL2720518

CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C(Cl)(Cl)C(=O)N4)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 1.00
RXFP1 Q9HBX9 3/20 0.68
POLB P06746 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
KMT2A Q03164 1/20 0.67
MAPT P10636 4/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
TNF P01375 3/20 0.54
NOD2 Q9HC29 2/20 0.54
NOD1 Q9Y239 2/20 0.54
RAB9A P51151 1/20 0.52
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL2718876 0.80 GAA (1.00) GAARXFP1POLBTDP1KMT2A
SCHEMBL29477262 0.80 GAA (1.00) GAARXFP1POLBTDP1KMT2A
SCHEMBL6954598 0.78 GAA (0.63) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL6947705 0.77 GAA (0.62) GAAPOLBKMT2AMAPTALDH1A1
SCHEMBL7077522 0.77 GAA (0.61) GAAPOLBKMT2AALDH1A1KDM4E
SCHEMBL8307191 0.76 GAA (0.61) GAAPOLBKMT2AMAPTALDH1A1
SCHEMBL7430586 0.75 GAA (0.60) GAAPOLBTDP1KMT2AMAPT
SCHEMBL6951357 0.75 GAA (0.60) GAAPOLBKMT2AALDH1A1TP53
SCHEMBL29059034 0.75 GAA (0.60) GAA
SCHEMBL30555215 0.75 GAA (0.60) GAA

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