SCHEMBL9768974

SCHEMBL9768974

CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
NR1I3 Q14994 1/20 0.38
TP53 P04637 3/20 0.38
CYP2D6 P10635 2/20 0.38
NPC1 O15118 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL9768770 0.87 NPC1 (0.45) MAPTKMT2AMEN1GAAHTT
SCHEMBL9768706 0.84 MAPT (0.44) MAPTKDM4EKMT2AHTTSLC6A2
SCHEMBL9768732 0.83 ALDH1A1 (0.44) MAPTKDM4EKMT2AMEN1SLC6A2
SCHEMBL9768826 0.76 MAPT (0.41) MAPTKDM4EKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL9768729 0.76 MAPT (0.39) MAPTKDM4EKMT2AMEN1HTT
SCHEMBL9768774 0.76 ALDH1A1 (0.43) MAPTKDM4EKMT2AMEN1SLC6A2
Hydrochloric Acid SCHEMBL9768872 0.76 ALDH1A1 (0.43) MAPTKDM4EKMT2AMEN1HTT
SCHEMBL9768709 0.76 ALDH1A1 (0.43) MAPTKDM4EKMT2AMEN1SLC6A2
SCHEMBL9768744 0.72 NR1I3 (0.44) MAPTKDM4EGAANR1I3TP53
SCHEMBL9768823 0.72 KDM4E (0.46) MAPTKDM4EKMT2AMEN1NR1I3

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 2 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 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