SCHEMBL26051168

SCHEMBL26051168

O=C(NO)c1cnc2c(c1)CCN(C1CCCNC1)C2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.51
HRH3 Q9Y5N1 4/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL26050849 0.88 HDAC6 (0.61) HDAC6HRH3
SCHEMBL10224172 0.88 HDAC6 (0.58) HDAC6HRH3HDAC3HDAC1HDAC2
SCHEMBL26051085 0.87 HDAC6 (0.52) HDAC6HRH3
SCHEMBL26050922 0.87 HDAC6 (0.57) HDAC6HRH3HDAC3HDAC1HDAC2
SCHEMBL26051040 0.85 HDAC6 (0.54) HDAC6HRH3HDAC3HDAC1HDAC2
SCHEMBL26051169 0.83 HDAC6 (0.53) HDAC6HRH3
SCHEMBL26051087 0.82 HDAC6 (0.51) HDAC6HRH3
SCHEMBL26062657 0.82 HDAC6 (0.52) HDAC6HRH3HDAC3HDAC1HDAC2
SCHEMBL26051096 0.82 HDAC6 (0.49) HDAC6HRH3HDAC3HDAC1HDAC2
SCHEMBL26051086 0.81 HDAC6 (0.50) HDAC6HRH3HDAC3HDAC1

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-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed