SCHEMBL11268564

SCHEMBL11268564

Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)(C)C(N2CCOCC2)O3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
PTPN1 P18031 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL11268765 0.91 GAA (0.42) GAAKMT2AALDH1A1NPSR1MAPT
SCHEMBL11258761 0.85 GAA (0.61) GAAKMT2AATMALDH1A1HPGD
SCHEMBL11258922 0.83 GAA (0.59) GAAKMT2AALDH1A1MAPTHPGD
SCHEMBL11416741 0.82 GAA (0.58) GAAKMT2AATMALDH1A1MEN1
SCHEMBL11410655 0.82 GAA (0.58) GAAKMT2AATMALDH1A1MAPT
SCHEMBL10421881 0.82 GAA (0.58) GAAALDH1A1MAPTHTTCNR2
SCHEMBL11257459 0.81 GAA (0.57) GAAKMT2AALDH1A1MAPTHPGD
SCHEMBL11625579 0.80 GAA (0.73) GAAALDH1A1HTTSMN1; SMN2
SCHEMBL11806876 0.80 GAA (0.55) GAAALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL11806459 0.79 GAA (0.54) GAAALDH1A1HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345932-A BENZOFURANYL ESTERS FISONS LIMITED (GB) 1982-08-24 US disclosed
US-4157255-A 2-AMINO-BENZOFURAN-2-YL METHANE SULFONATE FISONS LIMITED (GB) 1979-06-05 US disclosed
US-4120871-A HERBICIDES, PLANT GROWTH REGULATORS FISONS LIMITED (GB) 1978-10-17 US disclosed