SCHEMBL7632003

SCHEMBL7632003

O=S(=O)(O)c1c(C=Cc2ccccc2)ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
DDX3X O00571 3/20 0.39
PDE5A O76074 1/20 0.37
RHOA P61586 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
PLAU P00749 1/20 0.35
RECQL P46063 2/20 0.35
MCL1 Q07820 1/20 0.35
KCNH3 Q9ULD8 2/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3657602 0.89 TTR (0.41) CA12CA1CA2CA9DDX3X
SCHEMBL28551801 0.87 CA12 (0.40) CA12CA1CA2CA9DDX3X
SCHEMBL14759757 0.86 CA12 (0.42) CA12CA1CA2CA9DDX3X
SCHEMBL22713241 0.83 CA1 (0.36) CA12CA1CA2CA9RECQL
SCHEMBL15268433 0.83 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL22713394 0.82 CA1 (0.47) CA12CA1CA2CA9RECQL
SCHEMBL9272884 0.81 CA12 (0.42) CA12CA1CA2CA9DDX3X
SCHEMBL3657573 0.80 CDK2 (0.45) CA12CA1CA2CA9DDX3X
SCHEMBL5519902 0.80 CA12 (0.41) CA12CA1CA2CA9RHOA
SCHEMBL8626750 0.79 KCNH3 (0.33) CA12CA1CA2CA9DDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912097-B1 ANTIMICROBIAL PEROXIDASE COMPOSITIONS NOVOZYMES AS (DK) 2002-08-07 EP disclosed
US-6391839-B1 LAUNDRY DETERGENTS THE PROCTER & GAMBLE COMPANY 2002-05-21 US disclosed
EP-0543911-B2 DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-11-08 EP disclosed
EP-0634480-B1 Detergent compositions PROCTER & GAMBLE (US) 2000-09-20 EP disclosed
EP-0634483-B1 Stabilised bleaching compositions PROCTER & GAMBLE (US) 2000-09-13 EP disclosed
EP-0581895-B1 PARTICULATE DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-01-05 EP disclosed
EP-0634482-B1 Stabilized detergent compositions PROCTER & GAMBLE (US) 1999-10-20 EP disclosed
WO-1997016513-A1 LIQUID LAUNDRY DETERGENT COMPOSITIONS CONTAINING ALKYL POLYETHER GLYCERYL SULFATES/SULFONATES THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO disclosed
EP-0763093-A1 DYE TRANSFER INHIBITION SYSTEM CONTAINING A PEROXIDASE/ACCELERATOR SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1997-03-19 EP disclosed
EP-0508034-B1 Compact detergent composition containing polyvinylpyrrolidone PROCTER & GAMBLE (US) 1996-02-28 EP disclosed
WO-1995033040-A1 DYE TRANSFER INHIBITION SYSTEM CONTAINING A PEROXIDASE/ACCELERATOR SYSTEM THE PROCTER & GAMBLE COMPANY (US) 1995-12-07 WO disclosed
WO-1992018594-A1 PARTICULATE DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-10-29 WO disclosed
WO-1992018597-A1 COMPACT DETERGENT COMPOSITION CONTAINING POLYVINYLPYRROLIDONE THE PROCTER & GAMBLE COMPANY (US) 1992-10-29 WO disclosed
EP-0508034-A1 Compact detergent composition containing polyvinylpyrrolidone THE PROCTER & GAMBLE COMPANY (US) 1992-10-14 EP disclosed