SCHEMBL15636227

SCHEMBL15636227

O=C(O)CC(NC(=O)c1cc(O)n(-c2ccccc2)n1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 11/20 0.54
▸ CYP26A1 O43174 5/20 0.53
▸ MALT1 Q9UDY8 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ EGLN2 Q96KS0 1/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47

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
SCHEMBL15635631 1.00 CTSA (0.54) CTSACYP26A1MALT1MEN1KMT2A
SCHEMBL15636384 0.97 CTSA (0.53) CTSACYP26A1MALT1EGLN2EGLN1
SCHEMBL15636772 0.92 CTSA (0.52) CTSACYP26A1MEN1KMT2A
SCHEMBL15636942 0.92 CTSA (0.52) CTSACYP26A1MEN1KMT2A
SCHEMBL15635884 0.92 CTSA (0.52) CTSACYP26A1MEN1KMT2A
SCHEMBL15637059 0.91 CYP26A1 (0.53) CTSACYP26A1
SCHEMBL15636499 0.91 EGLN2 (0.57) CTSACYP26A1EGLN2EGLN1
SCHEMBL15636168 0.90 CTSA (0.57) CTSACYP26A1
SCHEMBL15636670 0.90 EGLN2 (0.49) CTSACYP26A1EGLN2EGLN1
SCHEMBL15635626 0.90 CTSA (0.52) CTSACYP26A1KMT2A

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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