SCHEMBL7597563

SCHEMBL7597563

O=S(=O)(Nc1cccc2ccccc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.69
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ SLC40A1 Q9NP59 2/20 0.64
▸ PTGES2 Q9H7Z7 2/20 0.62
▸ LMNA P02545 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ HSD11B1 P28845 1/20 0.53
▸ KEAP1 Q14145 2/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.51
▸ CLK1 P49759 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ NEK2 P51955 1/20 0.50
▸ LIMK1 P53667 1/20 0.50
▸ ACLY P53396 1/20 0.50
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL29540970 0.88 KEAP1 (0.68) KMT2AMEN1MAPTSLC40A1PTGES2
SCHEMBL22233891 0.88 KEAP1 (0.68) KMT2AMEN1MAPTSLC40A1PTGES2
SCHEMBL7588697 0.86 PTGES2 (0.74) KMT2AMEN1MAPTSLC40A1PTGES2
SCHEMBL7572582 0.86 CLK1 (0.67) RECQLKMT2AMEN1MAPTALDH1A1
SCHEMBL7578880 0.83 KEAP1 (0.76) RECQLKMT2AMEN1MAPTALDH1A1
SCHEMBL7598878 0.83 PTGES2 (0.62) KMT2AMEN1MAPTALDH1A1SLC40A1
SCHEMBL1428546 0.82 RECQL (1.00) RECQLKMT2AMEN1MAPTALDH1A1
SCHEMBL2055427 0.81 ACLY (0.58) RECQLKMT2AMEN1MAPTALDH1A1
SCHEMBL7537943 0.80 RECQL (0.76) RECQLKMT2AMEN1MAPTALDH1A1
SCHEMBL7573136 0.80 KEAP1 (0.76) RECQLKMT2AMEN1MAPTALDH1A1

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
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