SCHEMBL2764771

SCHEMBL2764771

COc1cccc(OC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.71

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
SCHEMBL2763260 0.93 PARP1 (0.79) PARP1
SCHEMBL2765354 0.88 PARP1 (0.71) PARP1
SCHEMBL77315 0.88 PARP1 (0.79) PARP1
SCHEMBL2764822 0.84 PARP1 (0.74) PARP1
SCHEMBL2765387 0.84 PARP1 (0.76) PARP1
SCHEMBL4208087 0.83 PARP1 (0.75) PARP1
SCHEMBL5130215 0.83 PARP1 (1.00) PARP1
SCHEMBL5131208 0.83 PARP1 (1.00) PARP1
SCHEMBL13941832 0.82 PARP1 (0.83) PARP1
SCHEMBL78550 0.82 PARP1 (0.81) 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-2176237-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 AstraZeneca AB (SE) 2010-04-21 EP disclosed
WO-2009004356-A1 PHTHALAZINONE DERIVATIVES AS INHIBITORS OF PARP-1 ASTRAZENECA AB (SE) 2009-01-08 WO disclosed