SCHEMBL3875448

SCHEMBL3875448

O=C(O)N1CCc2cc(NS(=O)(=O)c3c(Br)nc4n3CCS4)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.52
KCNA1 Q09470 3/20 0.39
KCNAB1 Q14722 3/20 0.39
TMPRSS2 O15393 4/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
NAMPT P43490 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TRIM24 O15164 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1590340 0.87 HTR6 (0.49) HTR6KCNA1KCNAB1PTPN1NAMPT
SCHEMBL1590388 0.81 HTR6 (0.73) HTR6KCNA1KCNAB1TMPRSS2DRD2
SCHEMBL1590171 0.80 HTR6 (0.50) HTR6DRD2HTR2AHTR2CDRD3
Hydrochloric Acid SCHEMBL1590699 0.79 HTR6 (0.49) HTR6DRD2HTR2AHTR2CDRD3
SCHEMBL1591023 0.78 HTR6 (0.50) HTR6LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1590228 0.78 HTR6 (0.52) HTR6HTR2CLMNASMN1; SMN2MEN1
SCHEMBL1591258 0.75 HTR6 (0.49) HTR6HTR2CLMNASMN1; SMN2MEN1
SCHEMBL16634913 0.73 KCNA1 (0.49) KCNA1KCNAB1TMPRSS2PTPN2PTPN1
SCHEMBL1590132 0.72 HTR6 (0.67) HTR6DRD2HTR2AHTR2CDRD3
SCHEMBL1590451 0.72 HTR6 (0.67) HTR6DRD2HTR2AHTR2CDRD3

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
EP-2116546-A1 Substituted N-phenyl-2,3-dihydroimidazo[2,1-b]thiazole-5-sulfonamide derivatives as 5-HT6 ligands Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP disclosed