SCHEMBL8325149

SCHEMBL8325149

CCCCOc1ccc2[nH]c(Cc3ccc(/C=C/C(N)=O)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC3 O15379 5/20 0.48
HDAC4 P56524 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC2 Q92769 5/20 0.48
HDAC10 Q969S8 5/20 0.48
HDAC11 Q96DB2 5/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC9 Q9UKV0 5/20 0.48
HDAC5 Q9UQL6 5/20 0.48
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8321033 0.81 HDAC3 (0.47) MEN1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8324562 0.79 HDAC1 (0.60) MEN1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14127974 0.79 PLA2G2A (0.52) MEN1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8318679 0.79 HDAC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8326645 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8320221 0.76 HDAC3 (0.48) MEN1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8319399 0.75 HDAC3 (0.51) CYP3A4CYP2D6CYP2C9CYP2C19HDAC3
SCHEMBL8318889 0.74 HDAC1 (0.61) MEN1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8320160 0.74 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8324416 0.72 HDAC1 (0.70) 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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed