SCHEMBL630095

SCHEMBL630095

CN(C)S(=O)(=O)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1

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 5/20 0.73

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
SCHEMBL630519 0.90 PARP1 (0.82) PARP1PARP2
SCHEMBL5621887 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL5621468 0.82 PARP1 (1.00) PARP1PARP2
SCHEMBL633712 0.81 PARP1 (1.00) PARP1PARP2
SCHEMBL16971014 0.81 PARP1 (0.81) PARP1PARP2
SCHEMBL6780844 0.81 PARP1 (0.73) PARP1PARP2
Hydrochloric Acid SCHEMBL5620176 0.81 PARP1 (0.98) PARP1PARP2
SCHEMBL6782746 0.81 PARP1 (0.77) PARP1PARP2
SCHEMBL423949 0.80 PARP1 (1.00) PARP1PARP2
SCHEMBL5072050 0.79 PARP1 (0.78) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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