SCHEMBL5621385

SCHEMBL5621385

NC(=O)c1cc(N2CCCC2)cc2[nH]c(C3CCNCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.60
PARP2 Q9UGN5 3/20 0.46

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
SCHEMBL5620541 0.94 PARP1 (0.61) PARP1PARP2
SCHEMBL5621678 0.88 PARP1 (0.64) PARP1PARP2
SCHEMBL7042517 0.84 PARP1 (0.46) PARP1PARP2
SCHEMBL5621393 0.82 PARP1 (0.46) PARP1PARP2
SCHEMBL5620762 0.81 PARP1 (0.67) PARP1PARP2
SCHEMBL5621940 0.81 PARP1 (0.52) PARP1
SCHEMBL5620672 0.80 PARP1 (0.69) PARP1PARP2
SCHEMBL5620821 0.79 PARP1 (0.50) PARP1
SCHEMBL7042400 0.78 PARP1 (0.47) PARP1PARP2
SCHEMBL5621977 0.77 PARP1 (0.62) 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
US-RE39608-E1 Substituted benzimidazoles and their use as PARP inhibitors ABBOTT GMBH & CO. KG (DE) 2007-05-01 US disclosed
US-6448271-B1 SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed