SCHEMBL13610508

SCHEMBL13610508

Cc1cc2c3c(cc(-c4ccc(-c5cc6c7c(cc(C#N)c8c9ccc%10c%11c(ccc(c5c78)c%119)C(=O)NC%10=O)C(=O)NC6=O)c5nsnc45)c4c5ccc6c7c(ccc(c1c34)c75)C(=O)NC6=O)C(=O)NC2=O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.31

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
SCHEMBL13610505 0.99 PARP1 (0.31) PARP1
SCHEMBL13606571 0.94
SCHEMBL12561982 0.93
SCHEMBL13606437 0.90 CHEK1 (0.30)
SCHEMBL13610506 0.87 PARP1 (0.34) PARP1
SCHEMBL13606619 0.80 PARP1 (0.31) PARP1
SCHEMBL12561995 0.80
SCHEMBL13923619 0.77 CHEK1 (0.38) PARP1
SCHEMBL13606561 0.76 CHEK1 (0.31)
SCHEMBL15575338 0.76 PPOX (0.36) 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
WO-2009144302-A1 SEMICONDUCTOR MATERIALS AND METHODS OF PREPARATION AND USE THEREOF BASF SE (DE) 2009-12-03 WO disclosed