SCHEMBL4776717

SCHEMBL4776717

O=S(=O)(O)c1ccccc1C=Cc1ccccc1S(=O)(=O)ONc1nc(Nc2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 2/20 0.53
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 8/20 0.43
GAA P10253 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4776723 0.95 LMNA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL4776712 0.95 LMNA (0.58) CA12CA1CA2CA9LMNA
SCHEMBL28407614 0.94 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL8406469 0.88 LMNA (0.54) CA12CA1CA2CA9LMNA
SCHEMBL16269716 0.87 TTR (0.40) CA12CA1CA2CA9POLB
SCHEMBL4778070 0.86 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL8057064 0.86 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL28965738 0.86 TTR (0.40) CA12CA1CA2CA9POLB
SCHEMBL28525196 0.84 MAPT (0.41) CA12CA1CA2CA9HTT
SCHEMBL7738661 0.83 CA12 (0.51) CA12CA1CA2CA9LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398367-B1 Cleaning compositions containing multiply-substituted protease variants GENENCOR INT (US) 2008-12-10 EP disclosed
EP-0723579-B1 PROTEASE-CONTAINING CLEANING COMPOSITIONS PROCTER & GAMBLE (US) 2007-05-02 EP disclosed
EP-1398367-A1 Cleaning compositions containing multiply-substituted protease variants THE PROCTER & GAMBLE COMPANY (US) 2004-03-17 EP disclosed
EP-0929577-B1 STABILIZED PROTEINACEOUS PROTEASE INHIBITORS AND VARIANTS THEREOF PROCTER & GAMBLE (US) 2003-06-04 EP disclosed
US-5773399-A STORAGE STABILITY FOR DETERGENTS USING SURFACTANTS, SILICATE, SULFATE SALTS WITH PERCARBONATE BLEACHING AGENTS THE PROCTER & GAMBLE COMAPNY (US) 1998-06-30 US disclosed
WO-1996028558-A9 THERMITASE VARIANTS HAVING DECREASED ADSORPTION AND INCREASED HYDROLYSIS 1997-01-16 WO disclosed
EP-0708819-A1 A DETERGENT COMPOSITION COMPRISING TWO CELLULASE COMPONENTS NOVO NORDISK A/S (DK) 1996-05-01 EP disclosed
WO-1995002675-A1 A DETERGENT COMPOSITION COMPRISING TWO CELLULASE COMPONENTS NOVO NORDISK A/S (DK) 1995-01-26 WO disclosed