SCHEMBL6818895

SCHEMBL6818895

CC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
PPARG P37231 1/20 0.37
ALB P02768 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 4/20 0.35
PDE10A Q9Y233 1/20 0.33
LRRK2 Q5S007 2/20 0.33
EIF4EBP1 Q13541 1/20 0.32
PRSS12 P56730 1/20 0.32
PYGL P06737 1/20 0.32
PYGM P11217 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CDK2 P24941 1/20 0.31
GPR6 P46095 1/20 0.31

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
SCHEMBL6817465 0.97 GSK3A (0.37) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6821784 0.93 HIF1A (0.38) GSK3AGSK3BALBKDM4EHSD17B10
SCHEMBL6818941 0.92 ALB (0.37) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6814844 0.92 STING1 (0.40) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6818843 0.91 PPARG (0.42) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6818408 0.89 STING1 (0.41) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6818175 0.87 ALB (0.36) GSK3AGSK3BPPARGALBKDM4E
SCHEMBL6818611 0.86 KDM4E (0.37) GSK3AGSK3BALBKDM4EHSD17B10
SCHEMBL6818177 0.86 ALB (0.35) ALBKDM4EHSD17B10HIF1AEIF4EBP1
SCHEMBL6817639 0.85 ALB (0.36) GSK3AGSK3BALBKDM4EHSD17B10

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed