SCHEMBL9768706

SCHEMBL9768706

CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
NR1I3 Q14994 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TP53 P04637 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9768826 0.89 MAPT (0.41) MAPTKDM4ESLC6A2SLC6A4NR1I3
SCHEMBL9768774 0.88 ALDH1A1 (0.43) MAPTKDM4ESLC6A2SLC6A4NR1I3
SCHEMBL9768709 0.88 ALDH1A1 (0.43) MAPTKDM4ESLC6A2SLC6A4NR1I3
SCHEMBL9768823 0.86 KDM4E (0.46) MAPTKDM4ENR1I3ALDH1A1KMT2A
SCHEMBL9768744 0.86 NR1I3 (0.44) MAPTKDM4ENR1I3ALDH1A1SMN1; SMN2
SCHEMBL9768732 0.86 ALDH1A1 (0.44) MAPTKDM4ESLC6A2SLC6A4NR1I3
Hydrochloric Acid SCHEMBL9768872 0.85 ALDH1A1 (0.43) MAPTKDM4ESLC6A2SLC6A4NR1I3
Hydrochloric Acid SCHEMBL9768695 0.85 KDM4E (0.47) MAPTKDM4ENR1I3ALDH1A1KMT2A
SCHEMBL10444817 0.84 KDM4E (0.48) MAPTKDM4ESLC6A2SLC6A4NR1I3
SCHEMBL9768696 0.84 KDM4E (0.46) MAPTKDM4ESLC6A2SLC6A4NR1I3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US claimed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP claimed
JP-2091063-A None JP disclosed
US-5011833-A Antidepressant A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE (IT) 1991-04-30 US disclosed
JP-H0291063-A NOVEL 6,11-DIHYDRO-DIBENZO(CF)(1,2,5)THIADIAZEPINE-5,5-DIOXIDE DERIVATIVE, SALT THEREOF AND PRODUCTION OF THEM A MENARINI IND FARM RIUNITE SRL 1990-03-30 JP disclosed
EP-0354885-A1 Novel derivatives of 6,11-dihydro-dibenzo[c,f][1,2,5]-thiadiazepine 5,5-dioxide, salts thereof and appropriate processes for the preparation thereof A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1990-02-14 EP disclosed