SCHEMBL3664528

SCHEMBL3664528

Cc1c(Cc2ccc(F)c(C(=O)N3CCN(CCc4ccccc4)C(=O)C3)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 SCHEMBL3069688 0.96 PARP1 (0.59) PARP1
SCHEMBL15988470 0.93 PARP1 (0.59) PARP1
Trifluoroacetic Acid SCHEMBL3063353 0.90 PARP1 (0.56) PARP1
SCHEMBL3658008 0.90 PARP1 (0.65) PARP1
SCHEMBL15988385 0.88 PARP1 (0.63) PARP1
SCHEMBL15988351 0.88 PARP1 (0.65) PARP1
SCHEMBL15988399 0.88 PARP1 (0.67) PARP1
SCHEMBL3081524 0.88 PARP1 (0.62) PARP1
SCHEMBL15988439 0.87 PARP1 (0.62) PARP1
Trifluoroacetic Acid SCHEMBL3074917 0.87 PARP1 (0.62) 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-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