SCHEMBL26055253

SCHEMBL26055253

O=C(NO)c1cnc2c(c1)CN(CC13C4C5C6C4C1C6C53)CC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.41
HDAC1 Q13547 11/20 0.36
HDAC3 O15379 7/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC4 P56524 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM1A O60341 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL26050863 0.92 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26055254 0.81 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL29795160 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC3HDAC2HDAC10
SCHEMBL26056261 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26056263 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26063067 0.78 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26055577 0.78 HDAC6 (0.33) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26055578 0.78 HDAC6 (0.33) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL720087 0.77 HDAC6 (0.55) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL22944082 0.77 HDAC6 (0.55) HDAC6HDAC1KDM1A

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