SCHEMBL7569815

SCHEMBL7569815

COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Br)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.68
PKM P14618 4/20 0.67
GAA P10253 2/20 0.63
MAPK1 P28482 2/20 0.63
LMNA P02545 1/20 0.63
ALDH1A1 P00352 5/20 0.60
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
PGR P06401 1/20 0.58
ESR1 P03372 1/20 0.58
TRIM24 O15164 1/20 0.58
FFAR4 Q5NUL3 2/20 0.56
PLAU P00749 1/20 0.56
TCF4 P15884 1/20 0.56
CTNNB1 P35222 1/20 0.56
IDO1 P14902 1/20 0.55
KDM4E B2RXH2 1/20 0.55
BLM P54132 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL790294 0.84 GAA (0.86) CYP19A1PKMGAAMAPK1LMNA
SCHEMBL28511460 0.83 GAA (0.73) CYP19A1PKMGAAMAPK1LMNA
SCHEMBL7590717 0.83 KEAP1 (0.62) CYP19A1PKMGAAMAPK1LMNA
SCHEMBL8752410 0.83 GAA (0.73) CYP19A1PKMGAAMAPK1LMNA
SCHEMBL7577405 0.83 PTPRC (0.60) CYP19A1GAAMAPK1LMNAALDH1A1
SCHEMBL7573915 0.82 LMNA (0.78) PKMGAAMAPK1LMNAALDH1A1
SCHEMBL7573028 0.81 FFAR4 (0.63) MAPTFFAR4SMN1; SMN2
SCHEMBL16325591 0.80 PKM (1.00) CYP19A1PKMGAAMAPK1LMNA
SCHEMBL23109349 0.80 CA1 (0.65) ALDH1A1MAPTMEN1KMT2AFFAR4
SCHEMBL32679643 0.79 GAA (0.78) CYP19A1PKMGAAMAPK1LMNA

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