SCHEMBL9588804

SCHEMBL9588804

NC(=O)c1nc2c(N[PH](=O)O)cccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.41
PARP2 Q9UGN5 2/20 0.39

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
SCHEMBL9589142 0.87 CNR2 (0.39) PARP1
SCHEMBL9589783 0.77 CNR2 (0.40) PARP1PARP2
SCHEMBL4243599 0.77 MMP2 (0.48) PARP1
SCHEMBL9588790 0.76 PARP1 (0.38) PARP1PARP2
SCHEMBL9588128 0.76 PARP1 (0.40) PARP1PARP2
SCHEMBL4240987 0.75 PARP14 (0.43) PARP1PARP2
SCHEMBL4629094 0.74 PARP1 (0.47) PARP1PARP2
SCHEMBL3726213 0.74 CHEK1 (0.49) PARP1PARP2
SCHEMBL1933246 0.74 PARP1 (0.69) PARP1PARP2
SCHEMBL8597015 0.74 MAOB (0.43) PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 US disclosed