SCHEMBL27734616

SCHEMBL27734616

NC(Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
ATM Q13315 1/20 0.58
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC7A5 Q01650 2/20 0.49
PKM P14618 2/20 0.49
PTGS1 P23219 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
ALDH1A1 P00352 4/20 0.48
ITGAV P06756 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
LMNA P02545 3/20 0.43
HDAC1 Q13547 1/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL5607197 1.00 GAA (0.66) GAAATMSLC1A3SLC1A2SLC7A5
SCHEMBL27734522 0.85 SLC1A3 (0.50) GAASLC1A3SLC1A2SLC7A5PKM
SCHEMBL5607874 0.85 SLC1A3 (0.50) GAASLC1A3SLC1A2SLC7A5PKM
SCHEMBL31689445 0.83 GAA (0.52) GAAATMSLC1A3SLC1A2PKM
SCHEMBL5607232 0.81 PGR (0.64) SLC1A3SLC1A2PKMLMNAHDAC1
SCHEMBL27754835 0.81 PGR (0.64) SLC1A3SLC1A2PKMLMNAHDAC1
SCHEMBL7896707 0.81 GAA (0.45) GAAATMSLC1A3SLC1A2SLC7A5
SCHEMBL19234913 0.81 HDAC1 (0.62) GAASLC7A5PKMPTGS1ALPI
SCHEMBL20715878 0.81 HDAC1 (0.62) GAASLC7A5PKMPTGS1ALPI
SCHEMBL5078465 0.81 HDAC1 (0.62) GAASLC7A5PKMPTGS1ALPI

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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed