SCHEMBL9677487

SCHEMBL9677487

CCS(=O)(=O)Nc1ccc([S+]([O-])C2CCN(CCc3ccc(OC)c(OC)c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9681410 0.92 ABCB1 (0.43) ALDH1A1HTR1ASLC6A4EBPSIGMAR1
SCHEMBL7028266 0.76 HTR2A (0.48) HTR1ASLC6A4EBPSIGMAR1TMEM97
SCHEMBL10523855 0.75 ALDH1A1 (0.42) ALDH1A1HTR1ASLC6A4EBPSIGMAR1
SCHEMBL9678100 0.75 KCNH2 (0.48) ALDH1A1HTR1ASLC6A4EBPSIGMAR1
SCHEMBL9444367 0.75 ABCB1 (0.61) SMN1; SMN2ALDH1A1HTR1ASLC6A4EBP
SCHEMBL7025832 0.74 EBP (0.43) ALDH1A1HTR1ASLC6A4EBPSIGMAR1
SCHEMBL9447564 0.72 ABCB1 (0.45) ALDH1A1KDM4EHTR1ASLC6A4EBP
SCHEMBL9444495 0.72 KCNH2 (0.58) SMN1; SMN2ALDH1A1KDM4EHTTABCB1
Hydrochloric Acid SCHEMBL9444430 0.71 KCNH2 (0.59) SMN1; SMN2ALDH1A1KDM4EHTTABCB1
SCHEMBL9027195 0.71 SIGMAR1 (0.54) SMN1; SMN2ALDH1A1HTR1ASLC6A4EBP

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
EP-0304888-B1 SULFONAMIDOLPHENYL DERIVATES AND THERAPEUTIC AND PREVENTIVE AGENTS FOR ARRYTHMIA CONTAINING SAME Eisai Co., Ltd. (JP) 1992-11-11 EP disclosed
EP-0304888-A1 Sulfonamidolphenyl derivates and therapeutic and preventive agents for arrythmia containing same Eisai Co., Ltd. (JP) 1989-03-01 EP disclosed