SCHEMBL7978520

SCHEMBL7978520

Nc1ccccc1NC(=O)/C=C/c1ccc(C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.64
HDAC2 Q92769 4/20 0.60
MMP1 P03956 4/20 0.57
MMP2 P08253 4/20 0.57
MMP9 P14780 4/20 0.57
EGFR P00533 1/20 0.57

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
SCHEMBL2640602 0.89 HDAC1 (0.66) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL3228591 0.89 EGFR (0.71) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL3228583 0.89 EGFR (0.71) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL8348482 0.87 TRPA1 (0.68) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL4536420 0.87 TRPA1 (0.68) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL28633277 0.87 HDAC1 (0.63) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL4536422 0.87 TRPA1 (0.68) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL13180844 0.87 HDAC1 (0.74) HDAC1HDAC2MMP1MMP2MMP9
SCHEMBL1064700 0.85 HDAC1 (0.65) HDAC1HDAC2
SCHEMBL2640600 0.85 HDAC1 (0.62) HDAC1HDAC2MMP1MMP2MMP9

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
WO-2009138338-A1 NOVEL N-(2-AMINO-PHENYL)-ACRYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-11-19 WO disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO disclosed