SCHEMBL6817342

SCHEMBL6817342

CC(=O)N(C)c1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2C#N)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.32
GHSR Q92847 1/20 0.31
F10 P00742 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TP53 P04637 1/20 0.30
HIF1A Q16665 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
PLA2G7 Q13093 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
SCHEMBL7066829 0.92 ALB (0.32) ALBHIF1A
SCHEMBL6819494 0.92 ALB (0.33) ALBGHSRHIF1ASIRT2
SCHEMBL7065745 0.91 ITK (0.32) ALB
SCHEMBL6821693 0.91 PDE10A (0.34) ALBGHSRPDE10A
SCHEMBL6819209 0.91 HIF1A (0.34) ALBTP53HIF1ASIRT2
SCHEMBL6818244 0.91 PDE10A (0.34) ALBGHSRPDE10AHIF1A
SCHEMBL6818936 0.91 ITK (0.32) ALBHIF1A
SCHEMBL6818790 0.90 ALB (0.32) ALBTP53
SCHEMBL6818876 0.90 ALB (0.32) ALBTP53
SCHEMBL6821704 0.90 HIF1A (0.35) ALBF10TP53HIF1ASIRT2

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