SCHEMBL27834945

SCHEMBL27834945

CNc1cc(NS(=O)(=O)c2ccccc2)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.80
GFER P55789 1/20 0.80
APOBEC3G Q9HC16 1/20 0.80
CYTH2 Q99418 1/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HSP90AA1 P07900 2/20 0.53
HSP90AB1 P08238 2/20 0.53
PKM P14618 2/20 0.53
IL1RN P18510 1/20 0.51
KEAP1 Q14145 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL9345894 0.89 GAA (1.00) GAAGFERAPOBEC3GCYTH2LMNA
SCHEMBL13997280 0.81 CYTH2 (0.71) GAAGFERAPOBEC3GCYTH2LMNA
SCHEMBL23226678 0.79 GAA (0.70) GAAGFERAPOBEC3GHTTMEN1
SCHEMBL22112961 0.79 FFAR4 (0.60) GAAGFERAPOBEC3GLMNASMN1; SMN2
SCHEMBL8016507 0.78 GAA (0.69) GAAGFERAPOBEC3GCYTH2LMNA
SCHEMBL9842326 0.78 GAA (0.65) GAAGFERAPOBEC3GCYTH2LMNA
SCHEMBL7523467 0.78 HSD17B3 (0.73) GAAGFERAPOBEC3GCYTH2LMNA
Acetic Acid SCHEMBL3426591 0.78 CYTH2 (0.66) GAAGFERAPOBEC3GCYTH2LMNA
SCHEMBL10578347 0.77 FFAR4 (0.64) GAAGFERAPOBEC3GLMNASMN1; SMN2
SCHEMBL16366458 0.77 ALDH1A1 (0.75) GAAGFERAPOBEC3GLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036952-A Bis-aryl compounds for use as medicaments BIOLIPOX AB 2011-04-27 CN disclosed