SCHEMBL8294397

SCHEMBL8294397

O=NNC(=O)c1ccc(-c2ccc(CN(CCO)CCOc3ccccc3)cn2)s1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.54
CYP3A4 P08684 1/20 0.46
ACKR3 P25106 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL6513829 0.91 HDAC1 (0.65) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6509962 0.81 HDAC1 (0.65) HDAC1CYP3A4ACKR3HDAC3HDAC4
SCHEMBL6510513 0.79 HDAC1 (0.74) HDAC1CYP3A4ACKR3
SCHEMBL6512133 0.79 HDAC1 (0.61) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6507970 0.78 HDAC1 (0.52) HDAC1CYP3A4ACKR3
SCHEMBL6510533 0.78 HDAC1 (0.67) HDAC1CYP3A4ACKR3
SCHEMBL6515011 0.78 HDAC1 (0.52) HDAC1CYP3A4ACKR3HDAC3HDAC4
SCHEMBL6509983 0.78 HDAC1 (0.76) HDAC1CYP3A4HDAC3HDAC4HDAC7
SCHEMBL6509316 0.75 HDAC1 (0.59) HDAC1CYP3A4ACKR3
SCHEMBL6509511 0.75 HDAC1 (0.47) HDAC1CYP3A4HDAC3HDAC4HDAC7

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