SCHEMBL10425940

SCHEMBL10425940

CCN(CC)CCOc1ccc(NS(C)(=O)=O)cc1C(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.50
▸ ABCB1 P08183 10/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KCNH2 Q12809 1/20 0.42
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 SCHEMBL10426742 0.99 MCHR1 (0.49) MCHR1ABCB1TSHRKDM4EALDH1A1
SCHEMBL10426113 0.84 MCHR1 (0.56) MCHR1ABCB1KDM4EALDH1A1LMNA
Bromide SCHEMBL10426792 0.83 MCHR1 (0.55) MCHR1ABCB1KDM4EALDH1A1LMNA
SCHEMBL10426112 0.82 MCHR1 (0.61) MCHR1KDM4EALDH1A1LMNAKCNH2
SCHEMBL10426054 0.81 ABCB1 (0.52) MCHR1ABCB1TSHRKDM4EALDH1A1
Etafenone SCHEMBL29406308 0.81 ABCB1 (0.67) ABCB1TSHRKDM4EALDH1A1LMNA
Etafenone SCHEMBL77987 0.81 ABCB1 (0.67) ABCB1TSHRKDM4EALDH1A1LMNA
SCHEMBL10425941 0.80 ABCB1 (0.43) ABCB1TSHRKCNH2KMT2A
Etafenone SCHEMBL29846308 0.80 ABCB1 (0.66) ABCB1TSHRKDM4EALDH1A1LMNA
Etafenone SCHEMBL219823 0.80 ABCB1 (0.66) ABCB1TSHRKDM4EALDH1A1LMNA

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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