SCHEMBL30428871

SCHEMBL30428871

CC(=O)N1CCN(C(=O)c2cccc(Cn3c(=O)[nH]c(=O)c4ccccc43)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.55
PARP2 Q9UGN5 18/20 0.55

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
SCHEMBL12822183 1.00 PARP1 (0.55) PARP1PARP2
SCHEMBL30427399 0.93 PARP1 (0.57) PARP1PARP2
SCHEMBL12822250 0.93 PARP1 (0.57) PARP1PARP2
SCHEMBL12822437 0.90 PARP1 (0.56) PARP1PARP2
SCHEMBL30428864 0.90 PARP1 (0.56) PARP1PARP2
SCHEMBL15420996 0.89 CNR2 (0.54) PARP1PARP2
SCHEMBL21048539 0.88 PARP1 (0.58) PARP1PARP2
SCHEMBL12821971 0.88 PARP1 (0.60) PARP1PARP2
SCHEMBL12822482 0.88 MAPK10 (0.55) PARP1PARP2
SCHEMBL12822297 0.88 MAPK8 (0.53) 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
CN-116322680-A Combination regimens for PARP inhibitors 上海瑛派药业有限公司 2023-06-23 CN claimed
EP-4185295-A1 COMBINATION THERAPY OF PARP INHIBITORS Impact Therapeutics (Shanghai), Inc (CN) 2023-05-31 EP claimed
CN-116322680-A Combination regimens for PARP inhibitors 上海瑛派药业有限公司 2023-06-23 CN disclosed
EP-4185295-A1 COMBINATION THERAPY OF PARP INHIBITORS Impact Therapeutics (Shanghai), Inc (CN) 2023-05-31 EP disclosed