SCHEMBL5499591

SCHEMBL5499591

O=S(=O)(NCCCCCCO)c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
GAA P10253 2/20 0.57
PKM P14618 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SIGMAR1 Q99720 4/20 0.54
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL2013273 1.00 ALDH1A1 (0.59) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL2007611 0.98 GAA (0.59) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL12570903 0.95 MMP2 (0.57) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL2009051 0.94 MMP2 (0.59) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL5435010 0.93 GAA (0.60) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL9780583 0.91 ALDH1A1 (0.67) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL1348420 0.86 ALDH1A1 (0.64) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL23683085 0.83 GAA (0.61) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL7613900 0.83 TBXA2R (0.62) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL10078758 0.83 ALDH1A1 (0.75) ALDH1A1GAAPKMMEN1KMT2A

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