SCHEMBL8293231

SCHEMBL8293231

COC(=O)c1ccc(-c2ncc(CNCCOc3ccccc3)cn2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.62
DRD4 P21917 2/20 0.47
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL6510559 0.88 HDAC1 (0.79) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6511431 0.81 HDAC1 (0.46) HDAC1MAPTRAB9AKMT2AFAAH
SCHEMBL6508309 0.81 HDAC1 (0.84) HDAC1DRD4CYP3A4
SCHEMBL6509908 0.80 HDAC1 (0.54) HDAC1DRD4KMT2AHDAC3HDAC4
SCHEMBL6507596 0.77 HDAC1 (1.00) HDAC1CYP3A4
SCHEMBL6507898 0.74 HDAC1 (0.56) HDAC1DRD4MAPTRAB9AKMT2A
SCHEMBL6509841 0.73 HDAC1 (0.46) HDAC1KMT2AKDM4E
SCHEMBL1123563 0.73 MAPT (0.68) DRD4MAPTRAB9AKMT2AKDM4E
SCHEMBL6533816 0.73 RAB9A (0.41) HDAC1MAPTRAB9AFAAHHDAC3
SCHEMBL6507551 0.72 HDAC1 (0.59) HDAC1DRD4RAB9AKMT2AHDAC3

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-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed