SCHEMBL6378302

SCHEMBL6378302

CN(C)CCc1ccc(-c2nc3c(OC(N)=O)cccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.56
MAP4K4 O95819 2/20 0.48
PIM1 P11309 2/20 0.48
PIM3 Q86V86 2/20 0.48
AURKB Q96GD4 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
STK17A Q9UEE5 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
DYRK3 O43781 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CSNK2A1 P68400 1/20 0.48
PKN2 Q16513 1/20 0.48
BRSK1 Q8TDC3 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HPSE Q9Y251 1/20 0.47
PLA2G2A P14555 1/20 0.46
ALOX15 P16050 1/20 0.46
PTGS2 P35354 1/20 0.46
CHEK1 O14757 1/20 0.46

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
SCHEMBL6381528 0.90 PARP1 (0.58) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6384736 0.90 PIM1 (0.56) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6381105 0.89 PARP1 (0.71) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6379356 0.87 PARP1 (0.53) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6384512 0.85 PARP1 (0.56) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6381589 0.85 PARP1 (0.56) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6384729 0.85 HPSE (0.53) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL7131923 0.84 PARP1 (0.79) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6384519 0.83 PARP1 (0.49) PARP1MAP4K4PIM1PIM3AURKB
SCHEMBL6379799 0.83 PARP1 (0.56) PARP1MAP4K4PIM1PIM3AURKB

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
EP-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed