SCHEMBL30368486

SCHEMBL30368486

O=C(NO)c1cc(F)c(Cn2nnnc2-c2cccc(S(F)(F)(F)(F)F)c2)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.62
HDAC1 Q13547 6/20 0.62
HDAC3 O15379 4/20 0.62
HDAC4 P56524 4/20 0.62
HDAC7 Q8WUI4 4/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC10 Q969S8 4/20 0.62
HDAC11 Q96DB2 4/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC9 Q9UKV0 4/20 0.62
HDAC5 Q9UQL6 4/20 0.62
CYP3A4 P08684 1/20 0.41
HSD11B1 P28845 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL20535043 1.00 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL23316967 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20535154 0.86 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30368387 0.84 POLB (0.46) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30368408 0.82 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534947 0.82 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534784 0.81 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20535764 0.80 HDAC6 (0.66) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL23316860 0.79 HDAC6 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL20534547 0.76 HDAC6 (0.66) 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 2 patents. 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
EP-3562810-B1 BENZHYDROXAMIC ACID DERIVATIVES AS SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-05-03 EP disclosed