SCHEMBL4445163

SCHEMBL4445163

COC(=O)c1cccc(CC(C)c2n[nH]c(=O)c3c2CCCC3)c1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.67

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
SCHEMBL4440565 0.89 PARP1 (0.64) PARP1
SCHEMBL4434898 0.80 PARP1 (1.00) PARP1
SCHEMBL5094086 0.80 PARP1 (1.00) PARP1
SCHEMBL15908001 0.73 PARP1 (0.70) PARP1
SCHEMBL1790854 0.70 SLC7A5 (0.68)
SCHEMBL15609287 0.69 SLC7A5 (0.76)
SCHEMBL13589439 0.69 SLC7A5 (0.76)
SCHEMBL28281252 0.69 SLC7A5 (0.76)
Hydrochloric Acid SCHEMBL7735284 0.68 SLC7A5 (0.74)
SCHEMBL4439140 0.68 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