SCHEMBL17520591

SCHEMBL17520591

CN1C(=O)C2CN(Cc3c2c2cc(OCc4ccccc4)ccc2n3Cc2ccc(C(N)=O)cc2)C1=O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 19/20 0.83
▸ HDAC2 Q92769 15/20 0.67
▸ HDAC8 Q9BY41 15/20 0.67
▸ HDAC3 O15379 2/20 0.61
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC4 P56524 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ HDAC10 Q969S8 1/20 0.61
▸ HDAC11 Q96DB2 1/20 0.61
▸ HDAC5 Q9UQL6 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ PLA2G2A P14555 1/20 0.43

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
SCHEMBL17520656 0.94 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL22467790 0.94 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL22467821 0.94 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL19167615 0.91 HDAC6 (0.69) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520440 0.91 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520601 0.90 HDAC6 (0.68) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL24012069 0.90 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL20634169 0.89 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL20634788 0.89 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520627 0.89 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC3HDAC1

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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