SCHEMBL5505553

SCHEMBL5505553

O=S(=O)(NCCCCCO)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.59
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TBXA2R P21731 1/20 0.54
FABP4 P15090 2/20 0.54
CCR1 P32246 1/20 0.53
AKR1C3 P42330 1/20 0.52
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KAT6A Q92794 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
SCHEMBL9872117 0.84 FABP4 (0.77) FBP1ALDH1A1KDM4EPKMLMNA
SCHEMBL9871347 0.84 FABP4 (0.77) FBP1ALDH1A1KDM4EPKMLMNA
SCHEMBL9870700 0.84 FABP4 (0.77) FBP1ALDH1A1KDM4EPKMLMNA
SCHEMBL2006185 0.84 L3MBTL1 (0.64) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL17843468 0.84 L3MBTL1 (0.64) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL31014170 0.83 LMNA (0.56) FBP1ALDH1A1KDM4EPKMLMNA
SCHEMBL7613900 0.83 TBXA2R (0.62) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL8595157 0.82 ALDH1A1 (0.82) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL6675598 0.82 ALDH1A1 (0.82) ALDH1A1KDM4EPKMLMNASMN1; SMN2
SCHEMBL12570968 0.82 ATM (0.65) ALDH1A1KDM4EPKMLMNASMN1; SMN2

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