SCHEMBL20544679

SCHEMBL20544679

Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCCN4)CC3)c2)n[nH]c(=O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL4251613 0.97 PARP1 (1.00) PARP1
SCHEMBL4251624 0.97 PARP1 (1.00) PARP1
SCHEMBL4251620 0.97 PARP1 (1.00) PARP1
Trifluoroacetic Acid SCHEMBL3911298 0.95 PARP1 (0.91) PARP1
SCHEMBL20544234 0.95 PARP1 (1.00) PARP1
Trifluoroacetic Acid SCHEMBL4244892 0.90 PARP1 (0.91) PARP1
SCHEMBL4247684 0.86 PARP1 (0.80) PARP1
SCHEMBL20544352 0.86 PARP1 (1.00) PARP1
SCHEMBL20544353 0.86 PARP1 (1.00) PARP1
SCHEMBL20544230 0.86 PARP1 (1.00) 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