SCHEMBL7571564

SCHEMBL7571564

N#Cc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.60
FFAR4 Q5NUL3 2/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
KDM1A O60341 1/20 0.56
CYP19A1 P11511 1/20 0.54
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
CACNA1H O95180 1/20 0.54
CACNA1B Q00975 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL4650259 0.84 GPR119 (0.61) ARFFAR4HDAC1HDAC8CYP19A1
SCHEMBL28913958 0.84 KIF11 (0.69) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL7589397 0.83 FFAR4 (0.52) FFAR4MAPTSLC22A12PTGDR2
SCHEMBL7570513 0.82 FFAR4 (0.64) ARFFAR4HDAC1HDAC8HDAC3
SCHEMBL7570765 0.81 CES1 (0.67) ARFFAR4HDAC1HDAC8HDAC3
SCHEMBL95648 0.81 FFAR4 (0.60) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL5041094 0.81 FFAR4 (0.56) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL6756075 0.81 FFAR4 (0.68) ARFFAR4HDAC1HDAC8HDAC3
SCHEMBL28570269 0.81 FFAR4 (0.60) FFAR4HDAC1HDAC8HDAC3HDAC4
SCHEMBL26530291 0.81 GAA (0.68) FFAR4HDAC1HDAC8CYP19A1HDAC3

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