SCHEMBL6201681

SCHEMBL6201681

O=C(O)c1ccc(-c2ccn(CCOCc3ccc(F)cc3)n2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.69
HDAC3 O15379 13/20 0.69
HDAC4 P56524 13/20 0.69
HDAC7 Q8WUI4 13/20 0.69
HDAC2 Q92769 13/20 0.69
HDAC10 Q969S8 13/20 0.69
HDAC11 Q96DB2 13/20 0.69
HDAC8 Q9BY41 13/20 0.69
HDAC6 Q9UBN7 13/20 0.69
HDAC9 Q9UKV0 13/20 0.69
HDAC5 Q9UQL6 13/20 0.69
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL5903979 0.92 HDAC1 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903812 0.90 HDAC1 (0.81) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903824 0.85 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903949 0.83 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904085 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903954 0.75 HDAC1 (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903786 0.75 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903722 0.74 HDAC1 (0.60) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5903919 0.74 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5904047 0.73 HDAC1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP disclosed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO disclosed