SCHEMBL15988461

SCHEMBL15988461

Cc1c(Cc2ccc(F)c(C(=O)N3CCN(c4ccc(F)c(F)c4)C(=O)C3)c2)n[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 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
Trifluoroacetic Acid SCHEMBL3073104 0.97 PARP1 (0.53) PARP1
SCHEMBL15542554 0.91 PARP1 (0.64) PARP1
Trifluoroacetic Acid SCHEMBL3080600 0.90 PARP1 (0.61) PARP1
SCHEMBL3072268 0.86 PARP1 (0.57) PARP1
SCHEMBL3661333 0.84 PARP1 (0.64) PARP1
SCHEMBL15988353 0.84 PARP1 (0.61) PARP1
SCHEMBL15988350 0.84 PARP1 (0.63) PARP1
Trifluoroacetic Acid SCHEMBL3075494 0.83 PARP1 (0.61) PARP1
SCHEMBL15988465 0.83 PARP1 (0.57) PARP1
Trifluoroacetic Acid SCHEMBL3075492 0.83 PARP1 (0.55) 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