SCHEMBL8320160

SCHEMBL8320160

NC(=O)/C=C/c1ccc(Cc2nc3cc(-c4nnn[nH]4)ccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.48
HDAC8 Q9BY41 7/20 0.48
HDAC3 O15379 6/20 0.48
HDAC4 P56524 6/20 0.48
HDAC2 Q92769 6/20 0.48
HDAC6 Q9UBN7 6/20 0.48
HDAC7 Q8WUI4 4/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC9 Q9UKV0 4/20 0.48
HDAC5 Q9UQL6 4/20 0.48
PARP1 P09874 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 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
SCHEMBL7403690 0.74 F10 (0.55)
SCHEMBL8324002 0.74 HDAC1 (0.59) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8325149 0.74 MEN1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8322744 0.73 HDAC1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8321831 0.71 HDAC1 (0.50) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8319546 0.71 HDAC1 (0.67) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL16148291 0.71 GAA (0.52) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8325188 0.71 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8319423 0.71 HDAC1 (0.49) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL8320037 0.70 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC2

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