SCHEMBL3989767

SCHEMBL3989767

CC1CCC(c2nc3c(OC(N)=O)cccc3[nH]2)CC1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.57
PARP2 Q9UGN5 3/20 0.48

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
SCHEMBL3992894 0.89 PARP1 (0.71) PARP1PARP2
SCHEMBL3992291 0.89 PARP1 (0.55) PARP1PARP2
SCHEMBL7522321 0.89 PARP1 (0.55) PARP1PARP2
SCHEMBL7524922 0.89 PARP1 (0.55) PARP1PARP2
SCHEMBL7525305 0.89 PARP1 (0.55) PARP1PARP2
SCHEMBL7520186 0.87 PARP1 (0.53) PARP1PARP2
SCHEMBL7520909 0.87 PARP1 (0.53) PARP1PARP2
SCHEMBL6872238 0.87 PARP1 (0.68) PARP1PARP2
SCHEMBL3995493 0.86 PARP1 (0.47) PARP1PARP2
SCHEMBL6872354 0.86 PARP1 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171424-B1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2009-05-27 EP disclosed
EP-1171424-A1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
WO-2000064878-A1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed