SCHEMBL4555499

SCHEMBL4555499

Cc1ccc(C)n1-c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.72

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
SCHEMBL4436196 0.84 PARP1 (1.00) PARP1
SCHEMBL4438172 0.81 PARP1 (1.00) PARP1
SCHEMBL2208170 0.81 PARP1 (0.73) PARP1
SCHEMBL12431790 0.81 PARP1 (0.73) PARP1
SCHEMBL2206231 0.80 PARP1 (0.72) PARP1
SCHEMBL4433426 0.79 PARP1 (1.00) PARP1
SCHEMBL4439236 0.78 PARP1 (1.00) PARP1
SCHEMBL1252294 0.78 PARP1 (1.00) PARP1
SCHEMBL15030930 0.78 PARP1 (0.77) PARP1
SCHEMBL1249701 0.77 PARP1 (0.76) 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
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