SCHEMBL8238192

SCHEMBL8238192

CCC1C[C@@H](S(=O)(=O)c2ccc(Cl)cc2)c2c(F)ccc(F)c2O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.37
PSEN1 P49768 12/20 0.36
PSEN2 P49810 10/20 0.36
APH1B Q8WW43 9/20 0.36
NCSTN Q92542 9/20 0.36
APH1A Q96BI3 9/20 0.36
PSENEN Q9NZ42 9/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL12147391 1.00 APP (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1362865 0.85 CYP3A4 (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1362862 0.85 CYP3A4 (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1362866 0.85 CYP3A4 (0.37) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8237900 0.83 MMP2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1362927 0.79 PSEN1 (0.33) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL14461137 0.74 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12147220 0.74 MEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8231928 0.74 CYP3A4 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1362802 0.74 CYP3A4 (0.41) APPPSEN1PSEN2APH1BNCSTN

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-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 WO disclosed