SCHEMBL6865071

SCHEMBL6865071

CCCN1CCC(c2nc3c(OC(N)=O)cccc3[nH]2)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.73
PARP2 Q9UGN5 2/20 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
SCHEMBL6873574 0.95 PARP1 (0.73) PARP1PARP2
SCHEMBL6869162 0.94 PARP1 (0.64) PARP1PARP2
SCHEMBL6873862 0.93 PARP1 (0.63) PARP1PARP2
SCHEMBL6874947 0.89 PARP1 (0.58) PARP1PARP2
SCHEMBL6864930 0.89 PARP1 (0.65) PARP1PARP2
SCHEMBL6872354 0.88 PARP1 (0.70) PARP1PARP2
SCHEMBL6872224 0.87 PARP1 (0.55) PARP1PARP2
SCHEMBL6873002 0.87 PARP1 (0.57) PARP1PARP2
SCHEMBL6870252 0.87 PARP1 (0.57) PARP1PARP2
SCHEMBL6864603 0.85 PARP1 (0.58) 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-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO 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