SCHEMBL5795694

SCHEMBL5795694

COC(=O)c1ccc(C=C(C)CNc2cnc3ccc(CN4CCOCC4)cc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
FAAH O00519 2/20 0.45
CHEK1 O14757 1/20 0.43
CDK7 P50613 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL5819611 0.92 HDAC3 (0.44) MAPK1SMN1; SMN2FAAHCHEK1HDAC3
SCHEMBL5799562 0.91 FAAH (0.47) SMN1; SMN2FAAHHDAC3HDAC4HDAC1
SCHEMBL5797899 0.90 HDAC6 (0.55) MAPK1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL5799282 0.84 HDAC3 (0.46) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799283 0.84 HDAC3 (0.46) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799111 0.83 HDAC6 (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5799113 0.83 HDAC6 (0.48) FAAHHDAC3HDAC4HDAC1HDAC7
SCHEMBL5797644 0.82 HDAC6 (0.45) SMN1; SMN2FAAHHDAC3HDAC4HDAC1
SCHEMBL5807200 0.82 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5807203 0.82 HDAC6 (0.57) 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