SCHEMBL7416833

SCHEMBL7416833

Cc1ccc2[nH]c(C3CCNCC3)nc2c1OC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.57
PARP2 Q9UGN5 4/20 0.41

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
SCHEMBL7408785 0.93 PARP1 (0.57) PARP1PARP2
SCHEMBL7411360 0.81 PARP1 (0.56) PARP1PARP2
SCHEMBL7417789 0.80 PARP1 (0.63) PARP1PARP2
SCHEMBL6872238 0.79 PARP1 (0.68) PARP1PARP2
SCHEMBL6314907 0.76 PARP1 (0.36) PARP1
SCHEMBL7038859 0.73 PARP1 (0.51) PARP1PARP2
SCHEMBL7042256 0.72 PARP1 (0.51) PARP1PARP2
SCHEMBL6869625 0.72 PARP1 (0.69) PARP1PARP2
SCHEMBL7046800 0.72 PARP1 (0.47) PARP1PARP2
SCHEMBL5619945 0.72 PARP1 (1.00) 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-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