SCHEMBL6587155

SCHEMBL6587155

Cc1c(-c2nc3c(OC(N)=O)cccc3[nH]2)noc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.44
DHODH Q02127 5/20 0.42
HPSE Q9Y251 2/20 0.41
CHEK2 O96017 1/20 0.39
PLA2G2A P14555 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS2 P35354 1/20 0.38
PTGS1 P23219 1/20 0.37

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
SCHEMBL7482332 0.92 DHODH (0.43) PARP1DHODHHPSEALOX15PTGS1
SCHEMBL6584238 0.89 PARP1 (0.49) PARP1HPSEPLA2G2AALOX15PTGS2
SCHEMBL6805307 0.84 PARP1 (0.65) PARP1DHODHCHEK2
SCHEMBL6588332 0.82 PARP1 (0.42) PARP1DHODHHPSECHEK2PLA2G2A
SCHEMBL6586846 0.77 PARP1 (0.46) PARP1DHODHCHEK2
SCHEMBL7471031 0.76 PARP1 (0.45) PARP1DHODHHPSECHEK2
SCHEMBL6590617 0.75 PARP1 (0.48) PARP1DHODHHPSECHEK2
SCHEMBL6592136 0.74 PARP1 (0.43) PARP1DHODHHPSEPLA2G2AALOX15
SCHEMBL6590776 0.74 PARP1 (0.46) PARP1DHODHHPSECHEK2ALOX15
SCHEMBL6804274 0.73 PARP1 (0.69) PARP1DHODHCHEK2PLA2G2AALOX15

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