SCHEMBL8764952

SCHEMBL8764952

O=S(=O)(CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.45
CA2 P00918 13/20 0.45
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL8764409 0.83 ALDH1A1 (0.41) CA2ALDH1A1MAPK1APEX1
SCHEMBL8764355 0.72 EPAS1 (0.38) CA2ALDH1A1MAPK1APEX1
SCHEMBL8763338 0.71 SOS1 (0.41) CA2
SCHEMBL6428363 0.69 CA2 (0.48) CA1CA2
SCHEMBL13601374 0.68 MAPK1 (0.48) ALDH1A1MAPK1APEX1
SCHEMBL11856294 0.68 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPK1APEX1
SCHEMBL7662425 0.67 CA2 (0.52) CA1CA2
SCHEMBL9231973 0.67 CA2 (0.52) CA1CA2
SCHEMBL17024208 0.67 CA2 (0.46) CA1CA2
SCHEMBL8764347 0.67 VCAM1 (0.55) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606756-B1 Use of disulfonyl methanes for the control of parasites LILLY CO ELI (US) 1997-07-23 EP disclosed
US-5637603-A FORMULATION WHICH PROTECTS VERTEBRATE ANIMALS AGAINST PARASITES ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5614525-A ANTHELMINTICS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5596122-A INSECTICIDES AND LARVICIDES ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
US-5449681-A Administering by mouth or injection; anthelmintics, insecticides ELI LILLY AND COMPANY (US) 1995-09-12 US disclosed
EP-0606756-A1 Use of disulfonyl methanes for the control of parasites ELI LILLY AND COMPANY (US) 1994-07-20 EP disclosed