SCHEMBL4267686

SCHEMBL4267686

COc1ccc2sc3nc(C=C4C(=O)N5C(C(=O)O)=CS[C@H]45)cn3c2c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4267680 0.93 MAPT (0.46) PARP15PARP10TNKS2PARP2LMNA
SCHEMBL4257117 0.93 MAPT (0.46) PARP15PARP10TNKS2PARP2LMNA
SCHEMBL4267705 0.86
SCHEMBL2932072 0.84
SCHEMBL2932070 0.84
SCHEMBL4254592 0.83 PARP15 (0.38) PARP15PARP10TNKS2PARP2MAPT
SCHEMBL4257282 0.81 PARP15 (0.38) PARP15TNKS2PARP2
SCHEMBL4257122 0.81 TP53 (0.44) PARP15PARP10TNKS2PARP2LMNA
SCHEMBL4259771 0.78 BRPF1 (0.38)
SCHEMBL4259814 0.78 BRPF1 (0.38)

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