SCHEMBL6032111

SCHEMBL6032111

COc1cc(S(=O)(=O)C(c2cc(F)ccc2F)c2cc(NC(=O)O)ncc2Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
HTT P42858 1/20 0.41
SLC22A12 Q96S37 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CTSA P10619 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 3/20 0.36
NAMPT P43490 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCN5A Q14524 2/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12724237 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633076 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633370 0.81 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6032800 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6032766 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6032081 0.80 NPC1 (0.39) HTTALDH1A1CTSAMAPTLMNA
SCHEMBL6032752 0.78 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1631043 0.76 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1633992 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1632633 0.75 PSEN1 (0.46) 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
EP-1640366-A1 HETEROCYCLIC METHYL SULFONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-29 EP disclosed