SCHEMBL1380869

SCHEMBL1380869

COC1CN(C(=O)c2cccc3c2nc(C(=O)NC2CCN(C(C)C)CC2)n3CCc2ccc(Cl)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.55
F2 P00734 2/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL1379748 0.92 F10 (0.57) F10F2PARP1
SCHEMBL3794629 0.89 F10 (0.61) F10F2PARP1
SCHEMBL1380973 0.87 F10 (0.62) F10F2PARP1
SCHEMBL6016811 0.87 F10 (0.42) F10F2PARP1
SCHEMBL3792281 0.82 PDE4A (0.40) F10PARP1
SCHEMBL3799263 0.79 F10 (0.57) F10F2
SCHEMBL1381671 0.77 F10 (0.59) F10F2
SCHEMBL1381065 0.77 F10 (0.61) F10
SCHEMBL1378573 0.76 F10 (0.62) F10F2
SCHEMBL1379754 0.76 F10 (0.60) F10F2

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
JP-4658940-B2 2011-03-23 JP claimed