SCHEMBL9989160

SCHEMBL9989160

NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4C(=O)O)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.77
PARP2 Q9UGN5 11/20 0.77
DHODH Q02127 2/20 0.60

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
SCHEMBL4970358 0.87 PARP1 (0.72) PARP1PARP2DHODH
SCHEMBL4974412 0.87 PARP1 (1.00) PARP1PARP2DHODH
SCHEMBL9989772 0.85 PARP1 (0.65) PARP1PARP2DHODH
SCHEMBL4968397 0.85 PARP1 (0.75) PARP1PARP2DHODH
SCHEMBL9988497 0.85 PARP1 (0.66) PARP1PARP2
SCHEMBL4971257 0.84 PARP1 (1.00) PARP1PARP2DHODH
SCHEMBL4971740 0.84 PARP1 (0.74) PARP1PARP2DHODH
SCHEMBL4988769 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL4969500 0.83 PARP1 (0.73) PARP1PARP2DHODH
SCHEMBL4973772 0.83 PARP1 (0.79) 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
WO-2012038751-A3 PROCESS FOR THE PURIFICATION OF AROMATIC DICARBOXYLIC ACID DAVY PROCESS TECHNOLOGY LIMITED (GB) 2012-05-10 WO claimed
EP-1957477-B1 1H-BENZIMIDAZOLE-4-CARBOXAMIDES SUBSTITUTED WITH PHENYL AT THE 2-POSITION ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2011-12-07 EP claimed