SCHEMBL6587534

SCHEMBL6587534

NC(=O)Oc1cccc2[nH]c(-c3cc(Br)sc3Br)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.45
PARP2 Q9UGN5 1/20 0.38
HPSE Q9Y251 1/20 0.38
PLK4 O00444 1/20 0.36
MAPK13 O15264 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
PRKX P51817 1/20 0.36
PRKCZ Q05513 1/20 0.36

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
SCHEMBL6804978 0.82 PARP1 (0.59) PARP1PARP2PLK4MAPK13DYRK3
SCHEMBL7480486 0.77 PARP1 (0.46) PARP1PARP2HPSEPLK4MAPK13
Hydrochloric Acid SCHEMBL6586618 0.76 PARP1 (0.46) PARP1PARP2HPSEPLK4MAPK13
SCHEMBL7475096 0.75 PARP1 (0.45) PARP1PARP2HPSECHEK2
SCHEMBL6588173 0.74 PARP1 (0.49) PARP1HPSECHEK2PIM1
SCHEMBL7479706 0.74 PARP1 (0.49) PARP1HPSE
SCHEMBL6588299 0.74 PARP1 (0.47) PARP1HPSE
SCHEMBL6578530 0.74 PARP1 (0.67) PARP1HPSE
SCHEMBL6587920 0.74 PARP1 (0.46) PARP1PARP2HPSEPLK4MAPK13
SCHEMBL6590709 0.73 PKN1 (0.66) PARP1PARP2HPSEPLK4MAPK13

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 3 patents. 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
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed