SCHEMBL7380387

SCHEMBL7380387

NC(=O)C[CH]c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
DHODH Q02127 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
KMO O15229 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IKBKB O14920 1/20 0.41
TP53 P04637 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
KCNH2 Q12809 1/20 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
SCHEMBL176807 0.83 PAM (0.47) HDAC1
SCHEMBL15157483 0.79 PARP1 (0.50) CA12CA1CA2CA9
SCHEMBL2675960 0.77 CYP1A2 (0.51)
SCHEMBL2675752 0.77 NFE2L2 (0.48) PTGS2
SCHEMBL2401016 0.77 ALDH1A1 (0.55)
SCHEMBL3159978 0.75 SIRT1 (0.46) TRIM24TRIM33DHODHIKBKBPRSS1
SCHEMBL7384107 0.75 TRIM24 (0.32) TRIM24TRIM33HDAC1
SCHEMBL8154863 0.74 HDAC2 (0.53) TRIM24TRIM33DHODHPLAAT3PLAAT5
SCHEMBL8154871 0.74 HDAC2 (0.53) TRIM24TRIM33DHODHPLAAT3PLAAT5
SCHEMBL8644523 0.74 TRIM24 (0.46) TRIM24TRIM33ERCC5FEN1DHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed