SCHEMBL15636731

SCHEMBL15636731

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2)n1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 2/20 0.51
▸ EGLN2 Q96KS0 2/20 0.49
▸ EGLN1 Q9GZT9 2/20 0.49
▸ CYP26A1 O43174 3/20 0.46
▸ ITGB3 P05106 8/20 0.44
▸ ITGAV P06756 3/20 0.44
▸ ITGA2B P08514 5/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CTSA P10619 3/20 0.41

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
SCHEMBL15636410 1.00 SUCNR1 (0.51) SUCNR1EGLN2EGLN1CYP26A1ITGB3
SCHEMBL15635750 0.92 SUCNR1 (0.60) SUCNR1EGLN2EGLN1CYP26A1ITGB3
SCHEMBL15636998 0.92 SUCNR1 (0.48) SUCNR1EGLN2EGLN1ITGB3ITGA2B
SCHEMBL15636934 0.91 SUCNR1 (0.56) SUCNR1EGLN2EGLN1CYP26A1ITGB3
SCHEMBL15637535 0.90 SUCNR1 (0.48) SUCNR1EGLN2EGLN1CYP26A1ITGB3
SCHEMBL15636937 0.88 CTSA (0.53) SUCNR1EGLN2EGLN1ITGB3ITGAV
SCHEMBL15637544 0.88 SUCNR1 (0.51) SUCNR1EGLN2EGLN1CYP26A1ITGB3
SCHEMBL15636639 0.88 CTSA (0.51) SUCNR1EGLN2EGLN1CYP26A1MMP3
SCHEMBL15636981 0.85 SUCNR1 (0.45) SUCNR1EGLN2EGLN1ITGB3ITGAV
SCHEMBL15636728 0.85 CTSA (0.45) SUCNR1EGLN2EGLN1CTSA

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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