SCHEMBL3931802

SCHEMBL3931802

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(CN2CC[C@@H](C(=O)N(C)C)C2)s1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.39
OGA O60502 7/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL3943888 1.00 AOC3 (0.39) AOC3OGAPDCD1CD274CDK4
SCHEMBL4863748 0.95 OGA (0.41) AOC3OGA
SCHEMBL4874389 0.95 OGA (0.41) AOC3OGA
SCHEMBL4873154 0.95 AOC3 (0.40) AOC3OGA
SCHEMBL3933517 0.90 AOC3 (0.41) AOC3OGA
SCHEMBL3941136 0.90 AOC3 (0.41) AOC3OGA
SCHEMBL4875485 0.88 AOC3 (0.44) AOC3OGA
SCHEMBL5669927 0.87 OGA (0.44) AOC3OGA
SCHEMBL5551593 0.87 AOC3 (0.37) AOC3OGA
SCHEMBL5551601 0.87 AOC3 (0.37) AOC3OGA

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
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed