SCHEMBL5508754

SCHEMBL5508754

O=S(=O)(NC[C@H](CCCO)c1ccco1)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.54
▸ LMNA P02545 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5503986 0.93 TP53 (0.56) TP53LMNANPSR1ALDH1A1MAPT
SCHEMBL5504602 0.74 MMP1 (0.49) LMNANPSR1MAPTKMT2ACYP19A1
SCHEMBL5435010 0.70 GAA (0.60) LMNAALDH1A1KMT2ACYP19A1GAA
SCHEMBL2007611 0.69 GAA (0.59) LMNAALDH1A1KMT2ACYP19A1GAA
SCHEMBL3188111 0.68 TP53 (0.45) TP53ALDH1A1MAPTKMT2AGAA
SCHEMBL21225933 0.68 MMP2 (0.50) TP53ALDH1A1CYP19A1GAAMMP1
SCHEMBL5499591 0.68 ALDH1A1 (0.59) LMNAALDH1A1KMT2AGAAMMP1
SCHEMBL2013273 0.68 ALDH1A1 (0.59) LMNAALDH1A1KMT2AGAAMMP1
SCHEMBL3203039 0.67 TP53 (0.43) TP53NPSR1ALDH1A1KMT2AGAA
SCHEMBL1348420 0.67 ALDH1A1 (0.64) ALDH1A1KMT2ACYP19A1GAAMMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 — — EP disclosed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 — — EP disclosed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 — — WO disclosed
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