SCHEMBL6586478

SCHEMBL6586478

NC(=O)Oc1cccc2[nH]c(-c3cccn3S(=O)(=O)c3ccc(F)cc3F)nc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 1/20 0.40
DHODH Q02127 12/20 0.36
PARP1 P09874 6/20 0.36
HPSE Q9Y251 1/20 0.32

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
SCHEMBL6804341 0.87 PARP1 (0.51) DHODHPARP1
SCHEMBL6588502 0.82 MET (0.41) PARP1
SCHEMBL6804348 0.77 PPME1 (0.40) PPME1DHODHPARP1
SCHEMBL6585822 0.71 PARP1 (0.40) PARP1HPSE
SCHEMBL6592104 0.68 PIM1 (0.44) PARP1HPSE
SCHEMBL6589916 0.67 TUBB4A (0.44) DHODHPARP1HPSE
SCHEMBL6810142 0.67 PARP1 (0.53) DHODHPARP1
SCHEMBL6578530 0.67 PARP1 (0.67) DHODHPARP1HPSE
SCHEMBL6590709 0.66 PKN1 (0.66) DHODHPARP1HPSE
SCHEMBL6588713 0.66 HPSE (0.43) DHODHPARP1HPSE

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