SCHEMBL7570513

SCHEMBL7570513

O=S(=O)(Nc1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.64
FFAR1 O14842 1/20 0.64
HDAC1 Q13547 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL28570098 0.96 KIF11 (0.62) FFAR4FFAR1HDAC1HDAC8CA1
SCHEMBL28913958 0.89 KIF11 (0.69) FFAR4HDAC1HDAC8ALDH1A1MAPK1
SCHEMBL26530291 0.86 GAA (0.68) FFAR4HDAC1HDAC8ALDH1A1MAPK1
SCHEMBL95648 0.86 FFAR4 (0.60) FFAR4HDAC1HDAC8ALDH1A1MAPK1
SCHEMBL26536541 0.86 FFAR4 (0.64) FFAR4HDAC1HDAC8MAPK1HDAC3
SCHEMBL18031172 0.86 HDAC1 (0.63) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL28570269 0.86 FFAR4 (0.60) FFAR4HDAC1HDAC8ALDH1A1MAPK1
SCHEMBL6756075 0.86 FFAR4 (0.68) FFAR4FFAR1HDAC1HDAC8CA1
SCHEMBL7570765 0.86 CES1 (0.67) FFAR4HDAC1HDAC8ALDH1A1HDAC3
SCHEMBL14601690 0.86 FFAR4 (0.68) FFAR4FFAR1HDAC1HDAC8CA1

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