SCHEMBL8764347

SCHEMBL8764347

O=[N+]([O-])c1cc(S(=O)(=O)CS(=O)(=O)C(F)(F)F)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 19/20 0.55
ALDH1A1 P00352 1/20 0.49
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48

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 0.82 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1368288 0.80 VCAM1 (0.63) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL3209835 0.79 VCAM1 (0.68) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL9805806 0.79 VCAM1 (0.65) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL10048832 0.78 VCAM1 (0.55) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL8763338 0.76 SOS1 (0.41)
SCHEMBL8763322 0.75 CA1 (0.47) ALDH1A1
SCHEMBL8897124 0.75 VCAM1 (0.69) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL9404105 0.75 VCAM1 (0.63) VCAM1ALDH1A1NPBWR1MCHR1
SCHEMBL10452716 0.74 VCAM1 (0.73) VCAM1ALDH1A1NPBWR1MCHR1

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-0606756-B1 Use of disulfonyl methanes for the control of parasites LILLY CO ELI (US) 1997-07-23 EP claimed
US-5614525-A ANTHELMINTICS ELI LILLY AND COMPANY (US) 1997-03-25 US claimed
EP-0606756-A1 Use of disulfonyl methanes for the control of parasites ELI LILLY AND COMPANY (US) 1994-07-20 EP claimed
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-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