SCHEMBL4553682

SCHEMBL4553682

C[C@H](Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL5090485 0.88 PARP1 (1.00) PARP1
SCHEMBL5096153 0.85 PARP1 (1.00) PARP1
SCHEMBL4555782 0.83 PARP1 (1.00) PARP1
SCHEMBL4555481 0.83 PARP1 (1.00) PARP1
SCHEMBL5094086 0.82 PARP1 (1.00) PARP1
SCHEMBL4437956 0.80 PARP1 (1.00) PARP1
SCHEMBL4441096 0.77 PARP1 (1.00) PARP1
SCHEMBL4555526 0.75 PARP1 (1.00) PARP1
SCHEMBL4446340 0.74 PARP1 (1.00) PARP1
SCHEMBL5102472 0.74 PARP1 (1.00) 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-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 EP disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed