SCHEMBL3532004

SCHEMBL3532004

CCCCNCCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.46
BCHE P06276 1/20 0.46
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SCN8A Q9UQD0 2/20 0.37

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
SCHEMBL3532568 0.93 HTR6 (0.47) HTR6BCHEHTR1AADRA1DADRA1A
SCHEMBL3539699 0.89 HTR6 (0.45) HTR6BCHEHTR1AADRA1DADRA1A
SCHEMBL3529169 0.89 HTR6 (0.43) HTR6BCHEKMT2AHTR1AADRA1D
SCHEMBL3539703 0.85 MAPT (0.41) HTR6BCHEKMT2ATP53MAPT
SCHEMBL3535899 0.85 TP53 (0.43) HTR6BCHETP53MAPTKDM4E
SCHEMBL3532573 0.85 MAPT (0.41) HTR6BCHEKMT2ATP53MAPT
SCHEMBL3532007 0.84 MAPT (0.40) HTR6BCHEKMT2ATP53MAPT
SCHEMBL3532009 0.84 TP53 (0.40) HTR6BCHEKMT2ATP53MAPT
SCHEMBL3532575 0.82 TP53 (0.41) HTR6BCHEKMT2AHTR1ATP53
SCHEMBL3529592 0.82 HTR1B (0.44) HTR6BCHEHTR1AADRA1DADRA1A

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed