SCHEMBL8320488

SCHEMBL8320488

CONC(=O)/C=C/c1ccc(Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.78
HDAC3 O15379 3/20 0.78
HDAC4 P56524 3/20 0.78
HDAC7 Q8WUI4 3/20 0.78
HDAC2 Q92769 3/20 0.78
HDAC10 Q969S8 3/20 0.78
HDAC11 Q96DB2 3/20 0.78
HDAC8 Q9BY41 3/20 0.78
HDAC6 Q9UBN7 3/20 0.78
HDAC9 Q9UKV0 3/20 0.78
HDAC5 Q9UQL6 3/20 0.78
POLB P06746 2/20 0.59
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
PKM P14618 1/20 0.56
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL4631676 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4631682 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8319266 0.77 SMN1; SMN2 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2878961 0.77 HSD17B10 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8326099 0.76 HDAC3 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8241469 0.76 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8327119 0.76 HDAC1 (0.87) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8320037 0.75 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8324416 0.74 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8320552 0.73 HDAC1 (0.73) 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