SCHEMBL6819494

SCHEMBL6819494

CC(=O)N(C)c1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2N(C)C(C)=O)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.33
GHSR Q92847 1/20 0.31
HIF1A Q16665 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
ITK Q08881 1/20 0.30
CDK2 P24941 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
SCHEMBL6819369 0.96 ALB (0.33) ALB
SCHEMBL6821300 0.96 ALB (0.33) ALB
SCHEMBL6819608 0.94 GHSR (0.32) ALBGHSRITK
SCHEMBL6818790 0.94 ALB (0.32) ALB
SCHEMBL7067494 0.92 ALB (0.30) ALBGHSRITK
SCHEMBL6817342 0.92 ALB (0.32) ALBGHSRHIF1ASIRT2
SCHEMBL7066829 0.91 ALB (0.32) ALBHIF1A
SCHEMBL6818936 0.91 ITK (0.32) ALBHIF1AITK
SCHEMBL6818244 0.91 PDE10A (0.34) ALBGHSRHIF1A
SCHEMBL6818625 0.91 MAP2K1 (0.34) ALBHIF1A

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