SCHEMBL8324337

SCHEMBL8324337

O=C(/C=C/c1ccc(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1)NOC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45
HPGD P15428 2/20 0.43
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL8327535 0.88 HDAC1 (0.48) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326528 0.88 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8327646 0.88 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326311 0.88 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8325172 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326655 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8324616 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8325208 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326119 0.84 HDAC1 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8327500 0.84 HDAC1 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2

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