SCHEMBL7589382

SCHEMBL7589382

Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C.Cc1ccc(S(=O)(=O)Nc2cc(C)c(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.71
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
NPY5R Q15761 1/20 0.51
RORC P51449 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 1/20 0.49
CCR9 P51686 2/20 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
SCHEMBL7591561 0.86 FFAR4 (0.64) FFAR4ALDH1A1GAASMN1; SMN2CCR9
SCHEMBL14601690 0.84 FFAR4 (0.68) FFAR4ALDH1A1GFERNPY5RRORC
SCHEMBL6756075 0.84 FFAR4 (0.68) FFAR4ALDH1A1GFERNPY5RRORC
SCHEMBL7595414 0.83 ALDH1A1 (0.70) FFAR4ALDH1A1GAAGFERCYP2C9
SCHEMBL7569763 0.81 FFAR4 (0.59) FFAR4GAAMAPTCCR9
SCHEMBL7590053 0.81 FFAR4 (0.59) FFAR4GAASMN1; SMN2MAPTCCR9
SCHEMBL26536700 0.81 PKM (0.70) FFAR4NPY5RRORCSMN1; SMN2MAPT
SCHEMBL7577285 0.81 FFAR4 (0.59) FFAR4ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL7591880 0.81 SLC40A1 (0.61) FFAR4ALDH1A1RORCMAPT
SCHEMBL7383795 0.80 CYP2C9 (0.69) FFAR4CYP2C9CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed