SCHEMBL5799686

SCHEMBL5799686

CC(=Cc1ccc(C(=O)O)cc1)CNc1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
PABPC1 P11940 2/20 0.46
EIF4H Q15056 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5799162 0.89 MEN1 (0.48) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5797898 0.89 HDAC6 (0.64) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5799662 0.83 HDAC6 (0.48) KMT2AHDAC6HDAC3HDAC4HDAC1
SCHEMBL5795739 0.83 NPC1 (0.43) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5797237 0.82 MAPT (0.63) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5797556 0.81 MAPT (0.47) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5812050 0.79 MEN1 (0.49) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5812047 0.79 MEN1 (0.49) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5807460 0.78 GAA (0.45) MEN1KMT2AHDAC6HDAC3HDAC4
SCHEMBL5795676 0.77 MAPT (0.51) MEN1KMT2AHDAC6HDAC3HDAC4

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed