SCHEMBL5797644

SCHEMBL5797644

CC(=Cc1ccc(C(=O)O)cc1)CNc1cnc2ccc(CN3CCN(C)CC3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.45
HDAC3 O15379 7/20 0.45
HDAC1 Q13547 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC8 Q9BY41 7/20 0.45
HDAC4 P56524 6/20 0.45
HDAC7 Q8WUI4 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC11 Q96DB2 6/20 0.45
HDAC9 Q9UKV0 6/20 0.45
HDAC5 Q9UQL6 6/20 0.45
FAAH O00519 5/20 0.45
CHKA P35790 1/20 0.41
BTK Q06187 1/20 0.39
MELK Q14680 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MET P08581 2/20 0.37

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
SCHEMBL5799283 0.93 HDAC3 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5799282 0.93 HDAC3 (0.46) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5823811 0.92 HDAC6 (0.56) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5799562 0.92 FAAH (0.47) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5819611 0.91 HDAC3 (0.44) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5797322 0.85 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5797318 0.85 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5807200 0.84 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5807203 0.84 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5798771 0.83 FAAH (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8

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