SCHEMBL4412445

SCHEMBL4412445

CN1CCOc2ccc3c(ccn3S(=O)(=O)c3ccc4ccccc4c3)c2C1.O=S(=O)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
PKM P14618 7/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
MCOLN3 Q8TDD5 3/20 0.39
LMNA P02545 2/20 0.39
PKLR P30613 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1996812 0.97 HTR6 (0.48) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1999976 0.86 HTT (0.56) PKMTSHRMEN1KMT2AHTT
SCHEMBL1995846 0.85 HTR6 (0.54) HTR6PKMHTR1ADRD2HTR2A
SCHEMBL1996567 0.84 HTT (0.46) HTR6PKMMEN1KMT2AHTT
SCHEMBL1994431 0.83 HTT (0.46) HTR6PKMTSHRMEN1KMT2A
SCHEMBL4412448 0.83 HTR6 (0.42) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1999350 0.82 PKM (0.49) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1997680 0.82 HTR6 (0.42) HTR6PKMTSHRMEN1KMT2A
SCHEMBL2001807 0.81 PKM (0.52) HTR6PKMTSHRMEN1KMT2A
SCHEMBL1992989 0.81 HTR6 (0.51) HTR6HTTHTR1ADRD2HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 WO disclosed