SCHEMBL7572156

SCHEMBL7572156

O=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 2/20 0.64
RELA Q04206 2/20 0.64
PTGES2 Q9H7Z7 1/20 0.62
RECQL P46063 2/20 0.56
MCOLN3 Q8TDD5 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KEAP1 Q14145 1/20 0.51
THRB P10828 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PGAM1 P18669 1/20 0.49
PTPN2 P17706 2/20 0.47

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
SCHEMBL7573029 0.86 PTGES2 (0.74) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL7591204 0.85 NFKBIA (0.57) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL17737449 0.84 NFKBIA (0.62) NFKBIARELAPTGES2MCOLN3ALDH1A1
SCHEMBL7573153 0.83 PTGES2 (0.62) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL11973892 0.82 THRB (0.65) NFKBIARELARECQLALDH1A1MEN1
SCHEMBL7573985 0.81 PTGES2 (0.68) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL3981083 0.80 METAP2 (0.64) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL7571625 0.79 PTGES2 (0.65) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL9967877 0.79 PTGES2 (0.65) NFKBIARELAPTGES2RECQLMCOLN3
SCHEMBL7569588 0.79 PTGES2 (0.69) NFKBIARELAPTGES2RECQLMCOLN3

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