SCHEMBL15988445

SCHEMBL15988445

Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C4CCCC(C)(C)C4)C(=O)C3)c2)n[nH]c(=O)c1C

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.62

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
Trifluoroacetic Acid SCHEMBL3073704 0.96 PARP1 (0.57) PARP1
SCHEMBL15988410 0.91 PARP1 (0.65) PARP1
SCHEMBL30418013 0.91 PARP1 (0.68) PARP1
SCHEMBL3082815 0.91 PARP1 (0.68) PARP1
SCHEMBL15988356 0.91 PARP1 (0.68) PARP1
SCHEMBL15988392 0.90 PARP1 (0.67) PARP1
SCHEMBL12342209 0.90 PARP1 (0.67) PARP1
SCHEMBL15988292 0.89 PARP1 (0.62) PARP1
SCHEMBL15988322 0.88 PARP1 (0.64) PARP1
SCHEMBL15988475 0.87 PARP1 (0.63) 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
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP claimed