SCHEMBL8029211

SCHEMBL8029211

C=C(Nc1cccc(OC)c1)C(Nc1ccc2ncccc2c1)c1ccc(/C=C/C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 8/20 0.53
MEF2D Q14814 3/20 0.53
EP300 Q09472 1/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC3 O15379 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
HDAC7 Q8WUI4 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC11 Q96DB2 5/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC9 Q9UKV0 5/20 0.46
HDAC5 Q9UQL6 5/20 0.46
MMP1 P03956 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
CDK9 P50750 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3099408 0.93 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3099400 0.93 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3105046 0.86 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3105028 0.86 HDAC4 (0.54) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3098713 0.82 HDAC4 (0.58) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3098720 0.82 HDAC4 (0.58) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3087771 0.81 HDAC4 (0.57) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL8029197 0.81 HDAC4 (0.57) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3099532 0.80 HDAC4 (0.55) HDAC4MEF2DEP300HDAC1HDAC3
SCHEMBL3099517 0.80 HDAC4 (0.55) HDAC4MEF2DEP300HDAC1HDAC3

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