SCHEMBL4257282

SCHEMBL4257282

O=C(O)C1=CS[C@@H]2/C(=C\c3cn4c(n3)sc3cc(Cl)ccc34)C(=O)N12

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL4254592 0.89 PARP15 (0.38) PARP15TNKS2PARP2
SCHEMBL4263334 0.89
SCHEMBL2932070 0.87
SCHEMBL2932072 0.87
SCHEMBL4257117 0.86 MAPT (0.46) PARP15TNKS2PARP2
SCHEMBL4267680 0.86 MAPT (0.46) PARP15TNKS2PARP2
SCHEMBL4267705 0.83
SCHEMBL4267686 0.81 PARP15 (0.41) PARP15TNKS2PARP2
SCHEMBL4259817 0.78 PARP15 (0.38) PARP15TNKS2PARP2
SCHEMBL4263337 0.76 MAPT (0.36)

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-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP claimed