SCHEMBL9589783

SCHEMBL9589783

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
PARP1 P09874 17/20 0.39
PARP2 Q9UGN5 3/20 0.37

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
SCHEMBL9588601 0.88 CNR2 (0.43) CNR2
SCHEMBL9588128 0.88 PARP1 (0.40) CNR2PARP1PARP2
SCHEMBL9589893 0.80 HRH4 (0.36) CNR2PARP1PARP2
SCHEMBL9589025 0.78 PARP1 (0.34) CNR2PARP1PARP2
SCHEMBL9588804 0.77 PARP1 (0.41) PARP1PARP2
SCHEMBL9587857 0.76 CNR2 (0.39) CNR2PARP1
SCHEMBL9587955 0.75 GRIN2D (0.47) CNR2PARP1PARP2
SCHEMBL3726213 0.74 CHEK1 (0.49) PARP1PARP2
SCHEMBL9588254 0.73 PARP1 (0.40) CNR2PARP1PARP2
SCHEMBL9588790 0.72 PARP1 (0.38) 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 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