SCHEMBL15636602

SCHEMBL15636602

O=C(O)CC(NC(=O)c1cc(O)n(-c2ccccc2Cl)n1)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 16/20 0.54
▸ SUCNR1 Q9BXA5 2/20 0.44
▸ MME P08473 1/20 0.44
▸ DCAF1 Q9Y4B6 1/20 0.44

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
SCHEMBL15636345 0.94 CTSA (0.57) CTSA
SCHEMBL15637348 0.91 CTSA (0.52) CTSA
SCHEMBL15636952 0.91 CTSA (0.52) CTSAMME
SCHEMBL15636318 0.90 CTSA (0.60) CTSADCAF1
SCHEMBL15635996 0.90 CTSA (0.60) CTSADCAF1
SCHEMBL15635751 0.90 CTSA (0.56) CTSA
SCHEMBL15636854 0.89 CTSA (0.55) CTSAMME
SCHEMBL15635863 0.89 CTSA (0.55) CTSAMME
SCHEMBL15636115 0.89 CTSA (0.55) CTSAMME
SCHEMBL15637225 0.89 CTSA (0.54) CTSAMME

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-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
Send feedback