SCHEMBL6111469

SCHEMBL6111469

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(Cc2ccccc2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.38
MAPK8 P45983 1/20 0.37
GSK3B P49841 2/20 0.36
ATM Q13315 1/20 0.36
PLA2G2A P14555 3/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL6108951 0.88 TP53 (0.38) TSHRLMNAMAPK1NPSR1KDM4E
SCHEMBL6109924 0.88 DPP4 (0.32) NPSR1ALDH1A1
SCHEMBL6109843 0.87 DPP4 (0.35) ALDH1A1
SCHEMBL6108264 0.86 ALDH1A1 (0.38) PLA2G2AMAPK1NPSR1KDM4EALDH1A1
SCHEMBL6110444 0.84 THRB (0.34) PLA2G2ANPSR1
SCHEMBL6106935 0.84 PTGER4 (0.32) NPSR1ALDH1A1
SCHEMBL6109704 0.84 KDM4E (0.31) TLR7GSK3BKDM4EALDH1A1
SCHEMBL6107057 0.84 DPP4 (0.33) KDM4E
SCHEMBL5239221 0.83 PDE4A (0.41) TLR7MAPK8PLA2G2APDE4APDE4B
SCHEMBL6107927 0.83 CTSK (0.32) LMNAKDM4EALDH1A1ADAMTS5

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
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed