SCHEMBL9624540

SCHEMBL9624540

CCCCCCC(CC)NCCc1ccccc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.43
PLA2G7 Q13093 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.36
KEAP1 Q14145 1/20 0.35
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 2/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34

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
SCHEMBL22000403 0.81 LIPG (0.47) PLA2G7L3MBTL1PTGS1PTGS2KEAP1
SCHEMBL9624560 0.79 KDM4E (0.48) ADRB3PTGS2ALDH1A1CACNA1FCHRM2
SCHEMBL9626253 0.78 HTR6 (0.44) ADRB3PTGS1NR3C1CACNA1FCHRM2
SCHEMBL9624948 0.78 ADRB3 (0.55) ADRB3PLA2G7L3MBTL1PTGS2CACNA1F
SCHEMBL9625827 0.76 KDM4E (0.50) ADRB3PTGS2ALDH1A1CACNA1FCHRM2
SCHEMBL3715386 0.75 PLA2G7 (0.54) PLA2G7L3MBTL1PTGS1KEAP1NR3C1
SCHEMBL9624807 0.75 KDM4E (0.49) PTGS2ALDH1A1CACNA1FCHRM2ADRA2B
Bromide SCHEMBL10531026 0.74 KDM4E (0.48) PTGS2ALDH1A1CACNA1FCHRM2ADRA2B
Hydrochloric Acid SCHEMBL10531414 0.74 KDM4E (0.48) PTGS2ALDH1A1CACNA1FCHRM2ADRA2B
SCHEMBL7647398 0.74 TAAR1 (0.50) PLA2G7L3MBTL1PTGS1KEAP1ALDH1A1

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-0164865-B1 N-(AMINOALKYLPHENYL)SULFONAMIDES THEIR PREPARATION AND THERAPEUTIC USE THE UPJOHN COMPANY (US) 1988-12-21 EP claimed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP claimed
US-5155268-A Antiarrhythmic N-aminoalkylene alkyl and aryl sulfonamides THE UPJOHN COMPANY (US) 1992-10-13 US disclosed
EP-0164865-A1 N-(Aminoalkylphenyl)sulfonamides their preparation and therapeutic use THE UPJOHN COMPANY (US) 1985-12-18 EP disclosed