SCHEMBL7518847

SCHEMBL7518847

NC(=O)Oc1cccc2[nH]c(C3CCCCC3O)nc12

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.48
PARP2 Q9UGN5 1/20 0.44

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
SCHEMBL7518634 0.88 PARP1 (0.48) PARP1PARP2
SCHEMBL3988137 0.87 PARP1 (0.47) PARP1
SCHEMBL6782694 0.83 PARP1 (0.67) PARP1PARP2
SCHEMBL7524922 0.81 PARP1 (0.55) PARP1PARP2
SCHEMBL7516631 0.80 PARP1 (0.47) PARP1PARP2
SCHEMBL6869338 0.79 PARP1 (0.69) PARP1PARP2
SCHEMBL7043962 0.79 PARP1 (0.47) PARP1PARP2
SCHEMBL7525305 0.79 PARP1 (0.55) PARP1PARP2
SCHEMBL3992291 0.79 PARP1 (0.55) PARP1PARP2
SCHEMBL7522321 0.79 PARP1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171424-A1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-01-16 EP disclosed
WO-2000064878-A1 CYCLO-ALKYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed