SCHEMBL3532009

SCHEMBL3532009

CCCC(N)CCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(Cc3cccc(Cl)c3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.40
MAPT P10636 5/20 0.40
HTR6 P50406 2/20 0.37
BCHE P06276 1/20 0.37
FFAR2 O15552 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.34
SLC16A3 O15427 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL3532575 0.91 TP53 (0.41) TP53MAPTHTR6BCHEFFAR2
SCHEMBL3539703 0.85 MAPT (0.41) TP53MAPTHTR6BCHEFFAR2
SCHEMBL3535899 0.85 TP53 (0.43) TP53MAPTHTR6BCHEFFAR2
SCHEMBL3532573 0.85 MAPT (0.41) TP53MAPTHTR6BCHEFFAR2
SCHEMBL3532568 0.84 HTR6 (0.47) TP53MAPTHTR6BCHEPTGER4
SCHEMBL3532007 0.84 MAPT (0.40) TP53MAPTHTR6BCHEFFAR2
SCHEMBL3539699 0.84 HTR6 (0.45) TP53MAPTHTR6BCHEALDH1A1
SCHEMBL3532004 0.84 HTR6 (0.46) TP53MAPTHTR6BCHEKMT2A
SCHEMBL3532453 0.81 LTA4H (0.44) HTR6ALDH1A1KDM4E
SCHEMBL3529596 0.80 HTR6 (0.44) HTR6MEN1KMT2ASMN1; SMN2LMNA

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