SCHEMBL5161699

SCHEMBL5161699

C=C(CNCCc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.56
HDAC3 O15379 10/20 0.56
HDAC2 Q92769 10/20 0.56
MAPK1 P28482 1/20 0.56
HDAC4 P56524 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
NCOR2 Q9Y618 5/20 0.54
PTGS1 P23219 1/20 0.49

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
SCHEMBL4897948 0.88 HDAC1 (0.67) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL2135459 0.82 HDAC1 (0.65) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4898000 0.81 HDAC1 (0.68) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4258366 0.79 HDAC1 (0.75) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL4889559 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7942299 0.78 HDAC2 (0.57) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL5161143 0.78 HDAC1 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL27608822 0.77 HDAC1 (0.65) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL28155970 0.77 HDAC1 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC4
SCHEMBL8268287 0.76 HDAC1 (0.58) HDAC1HDAC3HDAC2MAPK1HDAC4

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