SCHEMBL15111646

SCHEMBL15111646

CC(Nc1nc2c(CC(N)=O)cccc2[nH]1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COASY Q13057 1/20 0.52
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP1 P09874 7/20 0.39
AURKA O14965 3/20 0.36
RPS6KB1 P23443 3/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GPR139 Q6DWJ6 3/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL15111517 0.86 COASY (0.51) COASYALDH1A1LMNAHTTPARP1
SCHEMBL15111493 0.86 COASY (0.51) COASYALDH1A1LMNAHTTPARP1
SCHEMBL15111488 0.82 COASY (0.48) COASYPARP1AURKA
SCHEMBL15111502 0.82 COASY (0.48) COASYPARP1AURKA
SCHEMBL15111509 0.82 COASY (0.46) COASYPARP1RPS6KB1PTGES
SCHEMBL15111807 0.82 COASY (0.46) COASYPARP1RPS6KB1PTGES
SCHEMBL15111645 0.79 COASY (0.42) COASYPARP1RPS6KB1PTGES
SCHEMBL15111477 0.79 COASY (0.42) COASYPARP1RPS6KB1PTGES
SCHEMBL15111820 0.79 COASY (0.42) COASYPARP1RPS6KB1PTGES
SCHEMBL15111647 0.71 GAA (0.42) ALDH1A1PARP1RPS6KB1

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
WO-2013104577-A1 BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS ACESION PHARMA APS (DK) 2013-07-18 WO claimed
WO-2013104577-A1 BENZIMIDAZOLYL-ACETAMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS ACESION PHARMA APS (DK) 2013-07-18 WO disclosed