SCHEMBL30368751

SCHEMBL30368751

O=C(NO)c1ccc(Cn2nnc(-c3ccccn3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 1.00
HDAC1 Q13547 4/20 0.78
HDAC3 O15379 2/20 0.78
HDAC4 P56524 2/20 0.78
HDAC7 Q8WUI4 2/20 0.78
HDAC2 Q92769 2/20 0.78
HDAC10 Q969S8 2/20 0.78
HDAC11 Q96DB2 2/20 0.78
HDAC8 Q9BY41 2/20 0.78
HDAC9 Q9UKV0 2/20 0.78
HDAC5 Q9UQL6 2/20 0.78
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20534798 1.00 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534984 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534699 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30396047 0.82 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534876 0.82 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534704 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30395669 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL23317003 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL29640425 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20535631 0.81 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7

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
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP claimed