SCHEMBL24579577

SCHEMBL24579577

O=C(NO)c1ccc(Cn2ccccc2=O)cc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC7 Q8WUI4 10/20 0.67
▸ HDAC1 Q13547 5/20 0.67
▸ HDAC4 P56524 3/20 0.67
▸ HDAC8 Q9BY41 3/20 0.67
▸ HDAC6 Q9UBN7 3/20 0.67
▸ HDAC9 Q9UKV0 3/20 0.67
▸ HDAC5 Q9UQL6 3/20 0.67
▸ KLKB1 P03952 2/20 0.42
▸ KLK1 P06870 2/20 0.42
▸ MPO P05164 1/20 0.41

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
SCHEMBL24579645 0.85 PLA2G2A (0.48) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24579572 0.81 HDAC7 (0.61) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24577976 0.80 HDAC7 (1.00) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24579636 0.79 HDAC7 (0.58) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24577966 0.77 HDAC7 (0.61) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24578125 0.77 HDAC7 (0.58) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL29775271 0.76 HDAC7 (0.71) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24577958 0.75 HDAC7 (0.59) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL24578144 0.75 HDAC1 (0.62) HDAC7HDAC1HDAC4HDAC8HDAC6
SCHEMBL27188652 0.74 HDAC7 (0.68) 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
Send feedback