SCHEMBL6534032

SCHEMBL6534032

COc1ccccc1S(=O)(=O)c1cn(CCCCN)c2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.42
CPT1A P50416 2/20 0.39
HASPIN Q8TF76 3/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
DYRK2 Q92630 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1B Q92523 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
GSK3B P49841 2/20 0.37
KDR P35968 1/20 0.37
PRKCB P05771 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL3899853 0.81 HASPIN (0.46) HTR6HASPIN
SCHEMBL3892500 0.79 HTR6 (0.62) HTR6
SCHEMBL3885076 0.74 HTR6 (0.72) HTR6
SCHEMBL3888075 0.73 HTR6 (0.51) HTR6
SCHEMBL3896206 0.70 HTR6 (0.62) HTR6
SCHEMBL3887021 0.68 HTR6 (0.51) HTR6
SCHEMBL3888274 0.68 HTR6 (0.74) HTR6
Hydrochloric Acid SCHEMBL3890339 0.67 HTR6 (0.72) HTR6
SCHEMBL5785317 0.66 HTR6 (0.61) HTR6MAPT
SCHEMBL3885920 0.66 HTR6 (0.54) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP claimed
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO claimed
EP-1509522-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth, A Corporation of the State of Delaware (US) 2005-03-02 EP disclosed
WO-2003101990-A1 1-(AMINOALKYL)-3-SULFONYLAZAINDOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-12-11 WO disclosed