SCHEMBL27620171

SCHEMBL27620171

CCCC(Nc1ccccc1C(=O)NC(CC)c1ccc(OC)nc1)[SH](=O)=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.66
KCNK9 Q9NPC2 1/20 0.64
KCNA5 P22460 5/20 0.42
PDE2A O00408 4/20 0.41
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC8A1 P32418 2/20 0.39

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
SCHEMBL29761432 0.78 KCNK3 (1.00) KCNK3KCNK9KCNA5PDE2A
SCHEMBL498598 0.78 KCNK3 (1.00) KCNK3KCNK9KCNA5PDE2A
SCHEMBL13801055 0.78 KCNK3 (1.00) KCNK3KCNK9KCNA5PDE2A
SCHEMBL498597 0.78 KCNK3 (1.00) KCNK3KCNK9KCNA5PDE2A
SCHEMBL31478899 0.75 KCNK3 (0.61) KCNK3KCNK9PDE2APOLBKMT2A
Butane SCHEMBL498343 0.74 KCNK3 (0.61) KCNK3KCNK9PDE2AMEN1POLB
SCHEMBL14498283 0.71 KCNA5 (0.77) KCNK3KCNK9KCNA5MEN1POLB
SCHEMBL14306639 0.69 KCNK3 (0.55) KCNK3KCNK9PDE2ASLC8A1
SCHEMBL13480244 0.68 KCNK3 (0.82) KCNK3KCNK9KCNA5MEN1KMT2A
SCHEMBL8294602 0.67 KCNK3 (0.81) KCNK3KCNK9KCNA5MEN1KMT2A

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
CN-100361943-C 2-(butyl-1-sulfonylamino)-n-[1(r)-(6-methoxypyridin-3-yl)propyl] benzamide, its use as a medicament, and pharmaceutical preparations comprising it AVENTIS PHARMA GMBH (DE) 2008-01-16 CN disclosed
CN-1756728-A 2- (butyl-1-sulfonylamino) -N- [1(R) - (6-methoxypyridin-3-yl) propyl ] benzamide, its use as a medicament and pharmaceutical formulations containing it AVENTIS PHARMA GMBH (DE) 2006-04-05 CN disclosed