SCHEMBL8294602

SCHEMBL8294602

CCCCS(=O)(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccc(OC)nc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.81
KCNK9 Q9NPC2 1/20 0.81
KCNA5 P22460 6/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRNA7 P36544 1/20 0.44
BRAF P15056 1/20 0.42
LMNA P02545 1/20 0.39
MAP2K4 P45985 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL498597 0.90 KCNK3 (1.00) KCNK3KCNK9KCNA5BRAF
SCHEMBL29761432 0.90 KCNK3 (1.00) KCNK3KCNK9KCNA5BRAF
SCHEMBL13801055 0.90 KCNK3 (1.00) KCNK3KCNK9KCNA5BRAF
SCHEMBL498598 0.90 KCNK3 (1.00) KCNK3KCNK9KCNA5BRAF
SCHEMBL13480244 0.81 KCNK3 (0.82) KCNK3KCNK9KCNA5ALDH1A1HPGD
SCHEMBL12200906 0.76 KCNK3 (0.60) KCNK3KCNK9KCNA5ALDH1A1HPGD
SCHEMBL2717908 0.74 HSD17B10 (0.58) KCNK3KCNK9KCNA5ALDH1A1HPGD
SCHEMBL12201305 0.73 KCNA5 (0.87) KCNK3KCNK9KCNA5ALDH1A1HPGD
SCHEMBL12201303 0.72 KCNA5 (0.54) KCNK3KCNK9KCNA5ALDH1A1HPGD
SCHEMBL25219425 0.72 CYP1A2 (0.56) KCNK3KCNK9KCNA5ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005025674-A1 COMBINATION OF PHENYLCARBOXAMIDES WITH BETA-ADRENERGIC RECEPTOR BLOCKERS AND USE THEREOF FOR THE TREATMENT OF ATRIAL ARRHYTHMIAS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-03-24 WO disclosed