SCHEMBL4254592

SCHEMBL4254592

Cc1ccc2c(c1)sc1nc(/C=C3/C(=O)N4C(C(=O)O)=CS[C@H]34)cn12

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL4254598 1.00 PARP15 (0.38) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL4254601 0.93 PARP15 (0.38) PARP15PARP10TNKS2PARP2
SCHEMBL4257282 0.89 PARP15 (0.38) PARP15TNKS2PARP2
SCHEMBL4267680 0.88 MAPT (0.46) PARP15PARP10TNKS2PARP2MAPT
SCHEMBL4257117 0.88 MAPT (0.46) PARP15PARP10TNKS2PARP2MAPT
SCHEMBL2932072 0.87
SCHEMBL2932070 0.87
SCHEMBL4262075 0.86 PARP15 (0.36) PARP15PARP14PARP10TNKS2PARP2
SCHEMBL4267705 0.83
SCHEMBL4267686 0.83 PARP15 (0.41) PARP15PARP10TNKS2PARP2MAPT

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