SCHEMBL12342191

SCHEMBL12342191

Cc1c(Cc2cccc(C(=O)O)c2)n[nH]c(=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.52

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
SCHEMBL76810 0.83 PARP1 (0.48) PARP1
SCHEMBL30416453 0.82 PARP1 (0.73) PARP1
SCHEMBL77913 0.82 PARP1 (0.73) PARP1
SCHEMBL12342179 0.81 PARP1 (0.58) PARP1
SCHEMBL13095758 0.79 PARP1 (0.67) PARP1
SCHEMBL76831 0.79 PARP1 (0.48) PARP1
SCHEMBL2764528 0.79 PARP1 (0.74) PARP1
SCHEMBL12342215 0.78 PARP1 (0.56) PARP1
SCHEMBL12342182 0.77 PARP1 (0.60) PARP1
SCHEMBL3076203 0.77 PARP1 (0.67) PARP1

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
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed