SCHEMBL17520602

SCHEMBL17520602

C=C(O)c1ccc(Cn2c3c(c4ccccc42)CC2C(=O)N(CC)CC(=O)N2C3)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 18/20 0.78
▸ HDAC1 Q13547 3/20 0.68
▸ HDAC4 P56524 2/20 0.68
▸ HDAC2 Q92769 2/20 0.68
▸ HDAC10 Q969S8 2/20 0.68
▸ HDAC8 Q9BY41 2/20 0.68
▸ ENPP2 Q13822 2/20 0.51

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
SCHEMBL19138902 0.92 HDAC6 (0.82) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19161147 0.92 HDAC6 (0.82) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19161149 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19138993 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL17520635 0.86 HDAC6 (0.76) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19162239 0.85 HDAC6 (0.83) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19138897 0.85 HDAC6 (0.83) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19138998 0.83 HDAC6 (0.83) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19162242 0.83 HDAC6 (0.83) HDAC6HDAC1HDAC4HDAC2HDAC10
SCHEMBL19169226 0.83 HDAC6 (0.70) HDAC6HDAC1HDAC4HDAC2HDAC10

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-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 — — WO disclosed
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