SCHEMBL26052039

SCHEMBL26052039

O=C(NO)c1cnc2c(c1)CCN(CC13CC1CCN3)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.37
HDAC1 Q13547 4/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL26050915 0.79 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26052041 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26052040 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26050863 0.78 HDAC6 (0.39) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26061915 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26050770 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26050771 0.77 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26051970 0.77 HDAC6 (0.36) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26051966 0.76 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL26050772 0.75 HDAC6 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8

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