SCHEMBL5696178

SCHEMBL5696178

COc1ccc(S(=O)(=O)n2cccc2-c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.53
HTR6 P50406 4/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44

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
SCHEMBL3369368 0.81 TUBB1 (0.44) RAPGEF4CA12CA1CA2CA9
SCHEMBL28456535 0.80 RAPGEF4 (0.57) RAPGEF4HTR6HTR1ADRD2HTR2A
SCHEMBL3371555 0.80 CA12 (0.43) RAPGEF4HTR6CA12CA1CA2
SCHEMBL5696246 0.77 L3MBTL1 (0.47) CA12CA1CA2CA9TUBB4A
SCHEMBL1375760 0.76 CYP11B2 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11932215 0.73 RAPGEF4 (0.66) RAPGEF4HTR6CA1CA2L3MBTL1
SCHEMBL1375792 0.72 FYN (0.46) CA12CA1CA2CA9MEN1
SCHEMBL18040304 0.72 MAPT (0.54) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3368168 0.71 L3MBTL1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL3368043 0.71 TUBB4A (0.44) CA12CA1CA2CA9TUBB4A

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
EP-1655284-A1 2-Phenylsulfopyrroles Aponetics AG (CH) 2006-05-10 EP disclosed