SCHEMBL6864320

SCHEMBL6864320

CC(=O)N1CCCC(c2nc3c(OC(N)=O)cccc3[nH]2)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.57
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL6870155 0.95 PARP1 (0.62) PARP1PARP2
SCHEMBL6872852 0.89 PARP1 (0.72) PARP1PARP2
SCHEMBL6873107 0.89 PARP1 (0.71) PARP1PARP2
SCHEMBL6872932 0.88 PARP1 (0.52) PARP1PTGS1PTGS2
SCHEMBL6871606 0.86 PARP1 (0.74) PARP1PARP2
SCHEMBL6864930 0.85 PARP1 (0.65) PARP1PARP2
SCHEMBL5620166 0.84 PARP1 (0.78) PARP1PARP2
SCHEMBL6869776 0.84 PARP1 (0.64) PARP1PARP2
SCHEMBL6875383 0.82 PARP1 (0.54) PARP1PTGS1PTGS2PARP2
SCHEMBL6872354 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed