SCHEMBL8002589

SCHEMBL8002589

Cc1ccc(S(=O)(=O)C2(c3cc(Cl)ccc3F)CC(NS(=O)(=O)C(F)(F)F)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.62
PSEN2 P49810 18/20 0.62
APH1B Q8WW43 18/20 0.62
NCSTN Q92542 18/20 0.62
APH1A Q96BI3 18/20 0.62
PSENEN Q9NZ42 18/20 0.62
APP P05067 2/20 0.62
CYP3A4 P08684 2/20 0.62
SLC6A3 Q01959 1/20 0.62
SLC18A2 Q05940 1/20 0.62
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL1248178 0.93 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1248180 0.93 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15826754 0.93 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7904820 0.90 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1247059 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15808651 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1079669 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15808652 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8001446 0.87 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1079671 0.87 PSEN1 (0.80) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131906-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK & CO., INC. (US) 2009-10-29 WO disclosed