SCHEMBL4440565

SCHEMBL4440565

CC(Cc1cccc(C(=O)O)c1)c1n[nH]c(=O)c2c1CCCC2

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.64

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
SCHEMBL4445163 0.89 PARP1 (0.67) PARP1
SCHEMBL2764528 0.78 PARP1 (0.74) PARP1
SCHEMBL5096153 0.78 PARP1 (1.00) PARP1
SCHEMBL4436114 0.71 PARP1 (1.00) PARP1
SCHEMBL15908007 0.70 PARP1 (0.68) PARP1
SCHEMBL1251951 0.69 POLB (0.51) PARP1
SCHEMBL16429230 0.69 FOLH1 (0.55) PARP1
SCHEMBL4444674 0.68 PARP1 (0.70) PARP1
SCHEMBL4439140 0.68 PARP1 (1.00) PARP1
SCHEMBL765921 0.68 FOLH1 (0.61)

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