SCHEMBL8772926

SCHEMBL8772926

Nc1cccc(OS(=O)(=O)S)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAOB P27338 2/20 0.48
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 2/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL3113873 0.83 CA1 (0.54) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL31620700 0.83 CA1 (0.54) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL11672476 0.82 CA2 (0.76) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL31576122 0.80 ALDH1A1 (0.52) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL31408860 0.80 CA1 (0.50) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL3547476 0.80 ALDH1A1 (0.55) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL28724796 0.80 ALDH1A1 (0.50) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL3381331 0.80 ALDH1A1 (0.52) CA1CA2CA9CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4976619 0.78 ALDH1A1 (0.53) CA1CA2CA9CYP3A4ALDH1A1
SCHEMBL8772795 0.78 CA2 (0.48) CA1CA2CA9CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628860-B1 New type of modified gelatin and its use in a DTR material AGFA GEVAERT NV (BE) 1997-10-15 EP disclosed
US-5536817-A DIFFUSION TRANSFER REVERSAL AGFA-GEVAERT, N.V. (BE) 1996-07-16 US disclosed
US-5474885-A Hydrophilic photographic diffusion transfer reversal material containing gelatin modified by sulfate, sulfonate, phosphate, or phosphonate groups, for lithographic printing plates AGFA-GEVAERT, N.V. (BE) 1995-12-12 US disclosed
EP-0628860-A1 New type of modified gelatin and its use in a DTR material AGFA-GEVAERT N.V. (BE) 1994-12-14 EP disclosed