SCHEMBL5161676

SCHEMBL5161676

Nc1ccccc1NC(=O)CCc1ccc(C=CCN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 8/20 0.47
HDAC3 O15379 7/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL5162585 0.94 LMNA (0.48) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL5162667 0.90 ALDH1A1 (0.52) LMNATSHRMAPK1MEN1KMT2A
SCHEMBL5159110 0.80 HDAC1 (0.52) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL4894790 0.74 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL3812243 0.72 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL1521002 0.72 RAB9A (0.71) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL4261798 0.71 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4261801 0.71 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL5178132 0.71 HDAC3 (0.53) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4714063 0.71 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC10HDAC6

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-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO disclosed