SCHEMBL7761682

SCHEMBL7761682

COc1ccc(CNCCCc2ccc3c(c2)[S+]([O-])CN3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.48
SCN8A Q9UQD0 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
BCHE P06276 3/20 0.38
SLC2A1 P11166 1/20 0.38
RAD52 P43351 1/20 0.37
PAX8 Q06710 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL7756740 0.87 CHRM2 (0.44) CHRM2CA12CA1CA2CA9
SCHEMBL7761424 0.86 SIGMAR1 (0.46) CHRM2GAAMEN1KMT2ABCHE
SCHEMBL7760542 0.82 SCN8A (0.41) SCN8A
SCHEMBL9685732 0.80 LTA4H (0.42) ALDH1A1KDM4ESLC2A1
SCHEMBL7756742 0.78 CHRM2 (0.48) CHRM2SCN8ACA12CA1CA2
SCHEMBL9685789 0.75 SKP2 (0.41) CA1CA2ALDH1A1DRD2DRD3
SCHEMBL8798735 0.75 PDE3B (0.41) CA12CA1CA2CA4CA9
SCHEMBL8114298 0.72 HRH1 (0.37) HTR2A
SCHEMBL22839742 0.70 CHRM2 (0.92) CHRM2SCN8ACA12CA1CA2
SCHEMBL2930997 0.70 CHRM2 (0.85) CHRM2SCN8ACA12CA1CA2

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-0673934-B1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-25 EP disclosed
CN-1050601-C Preparation and the pharmaceutical compositions which contain them ADIR (FR) 2000-03-22 CN disclosed
CN-1111626-A Preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-15 CN disclosed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed