SCHEMBL20544663

SCHEMBL20544663

Cc1c(Cc2ccc(F)c(C(=O)N3CCc4c(C(F)(F)F)n[nH]c4C3)c2)n[nH]c(=O)c1C

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.61

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 SCHEMBL4248961 0.97 PARP1 (0.58) PARP1
SCHEMBL3977230 0.93 PARP1 (0.61) PARP1
Trifluoroacetic Acid SCHEMBL4249767 0.91 PARP1 (0.58) PARP1
SCHEMBL19005231 0.88 PARP1 (0.65) PARP1
SCHEMBL20544675 0.86 PARP1 (0.60) PARP1
Trifluoroacetic Acid SCHEMBL4247742 0.85 PARP1 (0.56) PARP1
SCHEMBL4248963 0.83 PARP1 (0.55) PARP1
SCHEMBL19005715 0.82 PARP1 (0.64) PARP1
SCHEMBL4249771 0.81 PARP1 (0.54) PARP1
SCHEMBL20544637 0.80 PARP1 (0.81) 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-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP claimed