SCHEMBL15636002

SCHEMBL15636002

O=C(O)CC(NC(=O)c1cc(O)n(-c2ccccc2)n1)c1ccc(-c2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 15/20 0.53
▸ FFAR1 O14842 1/20 0.44
▸ CYP26A1 O43174 2/20 0.44
▸ DCAF1 Q9Y4B6 1/20 0.44
▸ PTGS2 P35354 1/20 0.43

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 0.96 CTSA (0.51) CTSAFFAR1DCAF1
SCHEMBL15636514 0.95 CTSA (0.50) CTSAFFAR1PTGS2
SCHEMBL15636668 0.95 CTSA (0.53) CTSA
SCHEMBL15636640 0.93 CTSA (0.52) CTSAFFAR1DCAF1
SCHEMBL15636656 0.92 CTSA (0.53) CTSACYP26A1
SCHEMBL15636168 0.92 CTSA (0.57) CTSACYP26A1
SCHEMBL15636360 0.91 CTSA (0.49) CTSA
SCHEMBL15636737 0.91 CTSA (0.53) CTSACYP26A1PTGS2
SCHEMBL15637475 0.91 CTSA (0.54) CTSA
SCHEMBL15637348 0.89 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
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