SCHEMBL6587303

SCHEMBL6587303

Cn1cc(-c2nc3c(OC(N)=O)cccc3[nH]2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
PARP1 P09874 15/20 0.45
HPSE Q9Y251 1/20 0.45
PLA2G2A P14555 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS2 P35354 1/20 0.43
PKN1 Q16512 3/20 0.43
PKN2 Q16513 3/20 0.43
PARP2 Q9UGN5 1/20 0.42
DHODH Q02127 2/20 0.42
PLK4 O00444 1/20 0.41
MAPK13 O15264 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
PIM1 P11309 1/20 0.41
PHKG2 P15735 1/20 0.41

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
SCHEMBL6585184 0.86 HPSE (0.43) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6585150 0.84 PARP1 (0.46) PARP1HPSEPKN1PKN2DHODH
SCHEMBL6803959 0.82 PARP1 (0.65) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL6586796 0.81 PKN1 (0.39) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6591596 0.81 PARP1 (0.48) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6586775 0.79 PARP1 (0.46) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6589950 0.79 PKN1 (0.46) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6581295 0.78 AURKB (0.56) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6590709 0.78 PKN1 (0.66) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6588713 0.78 HPSE (0.43) PARP1HPSEPLA2G2AALOX15PTGS2

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-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed