SCHEMBL26056262

SCHEMBL26056262

O=C(NO)c1cnc2c(c1)CN(CC13CC(C1)N(C1CC1)C3)CC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.38
HDAC1 Q13547 7/20 0.32
HDAC3 O15379 5/20 0.32
HDAC2 Q92769 5/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CCR2 P41597 4/20 0.31
KCNH2 Q12809 3/20 0.31
HDAC4 P56524 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30

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
SCHEMBL26051972 0.93 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2SCN5A
SCHEMBL26056261 0.88 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26056263 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2KCNH2
SCHEMBL26061355 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC3HDAC2CCR2
SCHEMBL26061354 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC3HDAC2CCR2
SCHEMBL26055254 0.83 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2SCN5A
SCHEMBL26063068 0.82 HDAC6 (0.35) HDAC6HDAC1HDAC3HDAC2CCR2
SCHEMBL26051970 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26055719 0.81 HDAC6 (0.31) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL26056266 0.80 HDAC6 (0.40) HDAC6HDAC1HDAC3HDAC2CCR2

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