SCHEMBL6396102

SCHEMBL6396102

O=S(=O)(CCCOc1ccccc1CN(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.53
PSEN2 P49810 13/20 0.53
APH1B Q8WW43 13/20 0.53
NCSTN Q92542 13/20 0.53
APH1A Q96BI3 13/20 0.53
PSENEN Q9NZ42 13/20 0.53
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CXCR3 P49682 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL6393818 0.92 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6400827 0.91 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6395672 0.86 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6394514 0.86 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6393845 0.84 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6401117 0.83 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6391939 0.83 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7477637 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6394763 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6398666 0.82 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
EP-1159263-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000050391-A1 NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF MERCK & CO., INC. (US) 2000-08-31 WO disclosed