SCHEMBL6568071

SCHEMBL6568071

COc1ccccc1S(=O)(=O)NCCc1ccc(C(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.64
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.47
PLA2G4A P47712 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6567074 0.86 ALDH1A1 (0.52) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL6566904 0.82 ALDH1A1 (0.57) F10ALDH1A1SMN1; SMN2HTTTP53
SCHEMBL7518683 0.80 F10 (0.77) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL6386373 0.80 F10 (0.65) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL10453043 0.80 ALDH1A1 (0.50) F10ALDH1A1SMN1; SMN2HTTTP53
SCHEMBL6387684 0.79 F10 (0.83) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL6565074 0.78 ALDH1A1 (0.64) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL10463338 0.78 ALDH1A1 (0.45) F10ALDH1A1SMN1; SMN2HTTTP53
Hydrochloric Acid SCHEMBL6565204 0.77 ALDH1A1 (0.62) F10ALDH1A1SMN1; SMN2PRSS1PRSS2
SCHEMBL10461810 0.76 ALDH1A1 (0.54) F10ALDH1A1SMN1; SMN2HTTMAPT

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-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed