SCHEMBL5962232

SCHEMBL5962232

O=C(OC(=O)N1CCCCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.66

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
SCHEMBL1824686 0.87 PARP1 (0.86) PARP1
SCHEMBL12955358 0.80 PARP1 (0.72) PARP1
SCHEMBL1689414 0.78 PARP1 (1.00) PARP1
SCHEMBL1689488 0.78 PARP1 (1.00) PARP1
SCHEMBL30415984 0.78 PARP1 (1.00) PARP1
SCHEMBL30416453 0.77 PARP1 (0.73) PARP1
SCHEMBL77913 0.77 PARP1 (0.73) PARP1
SCHEMBL19569946 0.77 PARP1 (0.93) PARP1
SCHEMBL15218259 0.76 PARP1 (0.69) PARP1
SCHEMBL77391 0.76 PARP1 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633724-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2006-03-15 EP disclosed
WO-2004080976-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2004-09-23 WO disclosed