SCHEMBL24577976

SCHEMBL24577976

O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 12/20 1.00
▸ HDAC1 Q13547 7/20 1.00
▸ HDAC4 P56524 4/20 1.00
▸ HDAC8 Q9BY41 4/20 1.00
▸ HDAC6 Q9UBN7 4/20 1.00
▸ HDAC9 Q9UKV0 4/20 1.00
▸ HDAC5 Q9UQL6 4/20 1.00
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC10 Q969S8 1/20 0.53
▸ HDAC11 Q96DB2 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDCD1 Q15116 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL975467 0.85 HDAC7 (0.72) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24579577 0.80 HDAC7 (0.67) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24579576 0.79 HDAC7 (0.66) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL29775271 0.78 HDAC7 (0.71) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL13845079 0.78 HDAC7 (0.62) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24578029 0.77 HDAC7 (0.62) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24578144 0.77 HDAC1 (0.62) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL916482 0.76 HDAC1 (1.00) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24577966 0.76 HDAC7 (0.61) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24579572 0.76 HDAC7 (0.61) HDAC7HDAC1HDAC4HDAC8HDAC6

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-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 — — WO disclosed
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