SCHEMBL24488779

SCHEMBL24488779

Cc1ccccc1N(C1=CCCC=C1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.77
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC4 P56524 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
NCOR2 Q9Y618 1/20 0.59

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
SCHEMBL20109699 0.92 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL21698849 0.91 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL21698937 0.88 HDAC6 (0.75) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2227104 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2226158 0.85 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2225218 0.82 HDAC6 (0.87) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL2227985 0.81 HDAC6 (0.84) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL18822147 0.81 HDAC6 (0.53) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL24727542 0.79 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC7HDAC2
SCHEMBL20210088 0.78 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC7HDAC2

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-3060217-B1 TREATMENT OF POLYCYSTIC DISEASES WITH AN HDAC6 INHIBITOR MAYO FOUND MEDICAL EDUCATION & RES (US) 2022-06-08 EP disclosed