SCHEMBL6510025

SCHEMBL6510025

O=C(NO)c1ccc(-c2ccc(CNCCOc3cccc(C(F)(F)F)c3)cn2)s1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.75
CYP3A4 P08684 1/20 0.57

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
SCHEMBL6514242 0.89 HDAC1 (0.77) HDAC1CYP3A4
SCHEMBL6509132 0.88 HDAC1 (0.79) HDAC1CYP3A4
SCHEMBL6510543 0.86 HDAC1 (0.79) HDAC1CYP3A4
SCHEMBL6507596 0.86 HDAC1 (1.00) HDAC1CYP3A4
SCHEMBL6507768 0.82 HDAC1 (0.81) HDAC1CYP3A4
SCHEMBL6509791 0.81 HDAC1 (0.73) HDAC1CYP3A4
SCHEMBL6514313 0.80 HDAC1 (0.81) HDAC1CYP3A4
SCHEMBL6509767 0.79 HDAC1 (0.73) HDAC1CYP3A4
SCHEMBL6513949 0.79 HDAC1 (0.76) HDAC1CYP3A4
SCHEMBL6508309 0.78 HDAC1 (0.84) HDAC1CYP3A4

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