SCHEMBL6814844

SCHEMBL6814844

CC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccnnc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.40
ALB P02768 2/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33
PPARG P37231 1/20 0.33
PDE10A Q9Y233 1/20 0.32
F10 P00742 1/20 0.31
PRSS12 P56730 1/20 0.31
PYGL P06737 1/20 0.31
PYGM P11217 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6818408 0.97 STING1 (0.41) STING1ALBLRRK2KDM4EHSD17B10
SCHEMBL6818895 0.92 GSK3A (0.37) ALBLRRK2KDM4EHSD17B10GSK3A
SCHEMBL6819582 0.91 STING1 (0.39) STING1ALBLRRK2KDM4EGSK3A
SCHEMBL6821784 0.90 HIF1A (0.38) ALBKDM4EHSD17B10GSK3AGSK3B
SCHEMBL6818843 0.89 PPARG (0.42) STING1ALBLRRK2KDM4EHSD17B10
SCHEMBL6817465 0.89 GSK3A (0.37) ALBLRRK2KDM4EHSD17B10GSK3A
SCHEMBL6822734 0.88 STING1 (0.44) STING1ALBLRRK2PYGLPYGM
SCHEMBL6818175 0.85 ALB (0.36) ALBKDM4EHSD17B10GSK3AGSK3B
SCHEMBL6818190 0.85 ALB (0.35) STING1ALBKDM4EHSD17B10GSK3A
SCHEMBL6818174 0.85 STING1 (0.39) STING1ALBLRRK2GSK3AGSK3B

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