SCHEMBL6987688

SCHEMBL6987688

O=S(=O)(NC[C@H](O)CCO)c1ccc(Br)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 2/20 0.48
GALR3 O60755 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6986843 0.83 KMT2A (0.50) SMN1; SMN2HTTLMNATSHRKMT2A
SCHEMBL6989125 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6992720 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6992717 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6988643 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL1163936 0.79 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6987777 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL19334487 0.76 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6323420 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1HTTGALR3LMNA
SCHEMBL6989653 0.74 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1HTTGALR3LMNA

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-1341779-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2003-09-10 EP claimed
WO-2002057252-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2002-07-25 WO claimed