SCHEMBL27648366

SCHEMBL27648366

O=S(=O)(c1ccc(Cl)cc1)C(c1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1)c1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.54
PSEN2 P49810 10/20 0.54
APH1B Q8WW43 10/20 0.54
NCSTN Q92542 10/20 0.54
APH1A Q96BI3 10/20 0.54
PSENEN Q9NZ42 10/20 0.54
GRM5 P41594 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR1 P21453 1/20 0.36
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL1630907 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27648470 0.85 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631536 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632570 0.84 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL27628539 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631011 0.84 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631963 0.84 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1632355 0.83 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631326 0.83 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632117 0.83 PSEN1 (0.49) 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
CN-1812964-A Heterocyclic methyl sulfone derivative DAIICHI SEIYAKU CO (JP) 2006-08-02 CN disclosed