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SCHEMBL3659690

SCHEMBL3659690

Cc1c(C)c(=O)[nH][n+](OC(=O)C(F)(F)F)c1Cc1ccc(F)c(C(=O)N2CCN(CC(F)(F)c3ccc(F)cc3)C(=O)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.43
▸ PARP2 Q9UGN5 13/20 0.43

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
SCHEMBL3069229 0.94 PARP1 (0.46) PARP1PARP2
SCHEMBL3080936 0.92 PARP1 (0.51) PARP1PARP2
SCHEMBL3074920 0.88 PARP1 (0.47) PARP1PARP2
SCHEMBL3075500 0.88 PARP1 (0.44) PARP1PARP2
SCHEMBL3068979 0.86 PARP1 (0.44) PARP1PARP2
SCHEMBL3063355 0.86 PARP1 (0.44) PARP1PARP2
SCHEMBL3085639 0.85 PARP1 (0.42) PARP1PARP2
SCHEMBL3909245 0.84 PARP1 (0.51) PARP1
SCHEMBL3081795 0.84 PARP1 (0.39) PARP1PARP2
SCHEMBL3080604 0.83 PARP1 (0.42) PARP1PARP2

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-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 — — EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 — — WO disclosed