SCHEMBL15111517

SCHEMBL15111517

Cc1cccc([C@@H](C)Nc2nc3c(CC(N)=O)cccc3[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COASY Q13057 1/20 0.51
ICMT O60725 2/20 0.38
EGFR P00533 1/20 0.37
PARP1 P09874 6/20 0.36
MAPKAPK2 P49137 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
HDAC1 Q13547 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SOS1 Q07889 4/20 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
SCHEMBL15111493 1.00 COASY (0.51) COASYICMTEGFRPARP1MAPKAPK2
SCHEMBL15111488 0.86 COASY (0.48) COASYPARP1SOS1
SCHEMBL15111502 0.86 COASY (0.48) COASYPARP1SOS1
SCHEMBL15111646 0.86 COASY (0.52) COASYPARP1GPR139MAOBALDH1A1
SCHEMBL15111807 0.82 COASY (0.46) COASYPARP1
SCHEMBL15111509 0.82 COASY (0.46) COASYPARP1
SCHEMBL15111645 0.81 COASY (0.42) COASYICMTPARP1SOS1
SCHEMBL15111820 0.81 COASY (0.42) COASYICMTPARP1SOS1
SCHEMBL15111477 0.81 COASY (0.42) COASYICMTPARP1SOS1
SCHEMBL9589293 0.73 GAA (0.41) PARP1MAOBALDH1A1LMNA

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