SCHEMBL630828

SCHEMBL630828

NC(=O)c1cccc2[nH]c([C@@H]3CCCN3C3CCC3)nc12

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.87

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
SCHEMBL630027 1.00 PARP1 (0.87) PARP1
SCHEMBL4194859 0.97 PARP1 (0.89) PARP1
SCHEMBL4179390 0.96 PARP1 (0.88) PARP1
SCHEMBL630126 0.95 PARP1 (0.95) PARP1
SCHEMBL630311 0.93 PARP1 (1.00) PARP1
SCHEMBL630738 0.92 PARP1 (0.98) PARP1
SCHEMBL630294 0.84 PARP1 (1.00) PARP1
SCHEMBL631198 0.84 PARP1 (1.00) PARP1
SCHEMBL631188 0.82 PARP1 (0.81) PARP1
SCHEMBL655802 0.82 PARP1 (0.60) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338487-B1 Combination therapy with PARP inhibitors ABBOTT LAB (US) 2013-09-11 EP disclosed
EP-2420499-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS POTENT PARP INHIBITORS ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-2420234-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION AS PARP INHIBITORS FOR USE IN TREATING CANCER ABBOTT LAB (US) 2013-07-10 EP disclosed
EP-1869011-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH A QUATERNARY CARBON AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2012-08-01 EP disclosed
EP-2420234-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as PARP inhibitors for use in treating cancer Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2420499-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position as potent PARP inhibitors Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2338487-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-29 EP disclosed
EP-2329818-A1 Combination therapy with PARP inhibitors Abbott Laboratories (US) 2011-06-08 EP disclosed