SCHEMBL3922947

SCHEMBL3922947

Cc1ccc(C[C@]2(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c(C)c5C)ccc4F)CC3)CCCN2)cc1

nearest known ligand 0.91

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.91

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
SCHEMBL3922943 1.00 PARP1 (0.91) PARP1
SCHEMBL20544358 1.00 PARP1 (0.91) PARP1
Trifluoroacetic Acid SCHEMBL4249895 0.96 PARP1 (0.85) PARP1
Trifluoroacetic Acid SCHEMBL4249898 0.96 PARP1 (0.85) PARP1
SCHEMBL4241844 0.95 PARP1 (1.00) PARP1
SCHEMBL3910160 0.95 PARP1 (1.00) PARP1
SCHEMBL3910161 0.95 PARP1 (1.00) PARP1
SCHEMBL20544221 0.95 PARP1 (1.00) PARP1
SCHEMBL20544352 0.91 PARP1 (1.00) PARP1
SCHEMBL20544353 0.91 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed