SCHEMBL15636640

SCHEMBL15636640

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 15/20 0.52
▸ SUCNR1 Q9BXA5 2/20 0.44
▸ MME P08473 1/20 0.44
▸ DCAF1 Q9Y4B6 1/20 0.42
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL15636531 0.94 CTSA (0.51) CTSAMMEDCAF1FFAR1
SCHEMBL15637046 0.94 CTSA (0.52) CTSASUCNR1MME
SCHEMBL15636002 0.93 CTSA (0.53) CTSADCAF1FFAR1
SCHEMBL15636445 0.93 CTSA (0.60) CTSASUCNR1MMEDCAF1
SCHEMBL15636668 0.92 CTSA (0.53) CTSA
SCHEMBL15635967 0.91 CTSA (0.53) CTSA
SCHEMBL15636514 0.90 CTSA (0.50) CTSAFFAR1
SCHEMBL15637409 0.90 CTSA (0.55) CTSADCAF1
SCHEMBL15636360 0.90 CTSA (0.49) CTSA
SCHEMBL15635626 0.90 CTSA (0.52) CTSA

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