SCHEMBL6818174

SCHEMBL6818174

CNS(=O)(=O)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccnnc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 8/20 0.39
ALB P02768 2/20 0.38
LRRK2 Q5S007 1/20 0.34
PDE10A Q9Y233 2/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
BRD4 O60885 1/20 0.32
SCN9A Q15858 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
F10 P00742 1/20 0.30

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
SCHEMBL6818761 0.92 ALB (0.39) ALBLRRK2PDE10AGSK3AGSK3B
SCHEMBL6819285 0.90 ALB (0.40) ALBGSK3AGSK3BBRD4POLB
SCHEMBL6818975 0.90 PPARG (0.38) STING1ALBLRRK2PDE10AGSK3A
SCHEMBL6818408 0.85 STING1 (0.41) STING1ALBLRRK2PDE10AGSK3A
SCHEMBL6821747 0.85 BRD4 (0.39) ALBLRRK2PDE10AGSK3AGSK3B
SCHEMBL6814844 0.85 STING1 (0.40) STING1ALBLRRK2PDE10AGSK3A
SCHEMBL6822734 0.84 STING1 (0.44) STING1ALBLRRK2TP53POLB
SCHEMBL6818405 0.83 ALB (0.37) ALBPDE10ABRD4
SCHEMBL6817479 0.83 ALB (0.37) ALBLRRK2PDE10AGSK3AGSK3B
SCHEMBL6821951 0.83 HIF1A (0.43) ALBLRRK2TP53POLBMAPT

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