SCHEMBL5799282

SCHEMBL5799282

C/C(=C\c1ccc(C(=O)O)cc1)CNc1cnc2ccc(CN3CCCC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FAAH O00519 3/20 0.44
MCHR1 Q99705 13/20 0.41
HTR2C P28335 10/20 0.41
TRPV1 Q8NER1 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38

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 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797644 0.93 HDAC6 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5819611 0.92 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5807200 0.91 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5807203 0.91 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5799562 0.84 FAAH (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5823811 0.84 HDAC6 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797318 0.84 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5797322 0.84 HDAC6 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5795694 0.84 MAPK1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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