SCHEMBL7570765

SCHEMBL7570765

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.67
PGR P06401 1/20 0.62
FFAR4 Q5NUL3 2/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
IDH1 O75874 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
FBP1 P09467 1/20 0.56
TP53 P04637 1/20 0.56
AR P10275 1/20 0.56
MAPT P10636 1/20 0.55

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
SCHEMBL29561778 0.90 PGR (0.60) CES1PGRFFAR4HDAC1HDAC8
SCHEMBL28913958 0.88 KIF11 (0.69) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL7570513 0.86 FFAR4 (0.64) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL28570269 0.85 FFAR4 (0.60) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL26530291 0.85 GAA (0.68) PGRFFAR4HDAC1HDAC8HDAC3
SCHEMBL95648 0.85 FFAR4 (0.60) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL26536541 0.85 FFAR4 (0.64) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL18031172 0.85 HDAC1 (0.63) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL6756075 0.85 FFAR4 (0.68) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL14601690 0.85 FFAR4 (0.68) FFAR4HDAC1HDAC8HDAC3HDAC4

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