SCHEMBL631189

SCHEMBL631189

NC(=O)c1cccc2[nH]c([C@H]3CCC(=O)N3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
PARP2 Q9UGN5 2/20 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
SCHEMBL30418000 0.84 PARP1 (0.72) PARP1PARP2
SCHEMBL1048041 0.84 PARP1 (0.72) PARP1PARP2
SCHEMBL630129 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL1052345 0.80 PARP1 (0.66) PARP1PARP2
SCHEMBL4188871 0.80 PARP1 (0.72) PARP1PARP2
SCHEMBL1047286 0.79 PARP1 (0.74) PARP1PARP2
SCHEMBL1048855 0.79 PARP1 (0.71) PARP1PARP2
SCHEMBL630259 0.79 PARP1 (1.00) PARP1PARP2
SCHEMBL7702651 0.79 PARP1 (1.00) PARP1PARP2
SCHEMBL633643 0.79 PARP1 (1.00) PARP1PARP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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