SCHEMBL10426725

SCHEMBL10426725

CCN(CC)CCOc1ccc(NS(C)(=O)=O)cc1C(=O)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 13/20 0.53
▸ ACHE P22303 13/20 0.53
▸ MCHR1 Q99705 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ RRM1 P23921 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
Bromide SCHEMBL10425849 0.99 BCHE (0.53) BCHEACHEMCHR1MAOBRRM1
SCHEMBL10426113 0.83 MCHR1 (0.56) BCHEACHEMCHR1RRM1KDM4E
Bromide SCHEMBL10426792 0.82 MCHR1 (0.55) BCHEACHEMCHR1RRM1KDM4E
SCHEMBL10426023 0.82 BCHE (0.59) BCHEACHEMAOBKDM4EALDH1A1
SCHEMBL10426112 0.81 MCHR1 (0.61) MCHR1MAOBKDM4EALDH1A1LMNA
SCHEMBL10426726 0.81 ESR1 (0.43) BCHEMAOB
SCHEMBL10425940 0.80 MCHR1 (0.50) MCHR1KDM4EALDH1A1LMNA
Bromide SCHEMBL10426742 0.79 MCHR1 (0.49) MCHR1KDM4EALDH1A1LMNA
SCHEMBL10426021 0.78 BCHE (0.55) BCHEACHEMAOBKDM4EALDH1A1
SCHEMBL10426020 0.78 BCHE (0.55) BCHEACHEMAOBKDM4EALDH1A1

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-4906634-A Novel N-[4-(aminosubstituted)phenyl]methanesulfonamides and their use as cardiovascular agents SCHERING A.G. (DE) 1990-03-06 — — US claimed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 — — EP claimed
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