SCHEMBL8322800

SCHEMBL8322800

O=C(/C=C/c1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
TGFBR1 P36897 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HPGDS O60760 2/20 0.37
P2RX3 P56373 1/20 0.35
BRS3 P32247 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8320540 0.90 ALDH1A1 (0.42) TGFBR1HDAC1HDAC3HDAC4HDAC7
SCHEMBL8323965 0.83 HDAC1 (0.41) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8322776 0.82 MGLL (0.40) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8319218 0.82 HDAC1 (0.40) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8325172 0.82 HDAC1 (0.49) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8327938 0.81 HDAC1 (0.39) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8320255 0.81 HDAC8 (0.40) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8323569 0.80 MGLL (0.41) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8320188 0.80 HDAC1 (0.46) MGLLTGFBR1HDAC1HDAC3HDAC4
SCHEMBL8324372 0.80 HDAC1 (0.41) MGLLTGFBR1HDAC1HDAC3HDAC4

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed