SCHEMBL4267680

SCHEMBL4267680

COc1ccc2c(c1)sc1nc(C=C3C(=O)N4C(C(=O)O)=CS[C@H]34)cn12

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APP P05067 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL4257117 1.00 MAPT (0.46) MAPTLMNATP53TSHRRAB9A
SCHEMBL4267686 0.93 PARP15 (0.41) MAPTLMNATP53TSHRRAB9A
SCHEMBL4254592 0.88 PARP15 (0.38) MAPTPARP15PARP10TNKS2PARP2
SCHEMBL4257122 0.88 TP53 (0.44) MAPTLMNATP53TSHRRAB9A
SCHEMBL4257282 0.86 PARP15 (0.38) PARP15TNKS2PARP2
SCHEMBL2932070 0.84
SCHEMBL2932072 0.84
SCHEMBL4267705 0.81
SCHEMBL4259817 0.78 PARP15 (0.38) PARP15PARP10TNKS2PARP2
SCHEMBL4259771 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