SCHEMBL4412448

SCHEMBL4412448

CN1CCOc2ccc3c(cc(S(=O)(=O)Cl)n3S(=O)(=O)c3ccc4ccccc4c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
PKM P14618 8/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
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
SCHEMBL4412445 0.83 HTR6 (0.48) HTR6PKMHTTTSHRMEN1
SCHEMBL1996812 0.82 HTR6 (0.48) HTR6PKMHTTTSHRMEN1
SCHEMBL2003562 0.77 HTR6 (0.48) HTR6PKMHTTMEN1KMT2A
SCHEMBL4413034 0.73 HTR6 (0.43) HTR6
SCHEMBL2001433 0.73 HTR6 (0.46) HTR6PKMHTTLMNAPKLR
SCHEMBL1997112 0.73 HTR6 (0.46) HTR6PKMHTTTSHRPKLR
SCHEMBL1997011 0.72 HTR6 (0.45) HTR6PKMHTTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL1996217 0.71 HTR6 (0.42) HTR6PKMHTTPKLR
SCHEMBL1995180 0.70 HTR6 (0.43) HTR6PKMHTTPKLR
SCHEMBL1993753 0.70 HTR6 (0.43) HTR6PKMHTTPKLR

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