SCHEMBL20634778

SCHEMBL20634778

CN1C(=O)[C@@H]2CN(Cc3c2c2ccccc2n3Cc2ccc(C(=O)NO)cc2)C1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 1.00
▸ HDAC2 Q92769 16/20 1.00
▸ HDAC8 Q9BY41 16/20 1.00
▸ HDAC3 O15379 1/20 0.84
▸ HDAC4 P56524 1/20 0.84
▸ HDAC1 Q13547 1/20 0.84
▸ HDAC7 Q8WUI4 1/20 0.84
▸ HDAC10 Q969S8 1/20 0.84
▸ HDAC11 Q96DB2 1/20 0.84
▸ HDAC5 Q9UQL6 1/20 0.84
▸ NCOR2 Q9Y618 1/20 0.84

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
SCHEMBL19138910 1.00 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL19167590 1.00 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL19138916 0.91 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL17520565 0.91 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL24011820 0.91 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL24011753 0.90 HDAC6 (0.82) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL17500324 0.90 HDAC6 (0.82) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL17520639 0.88 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL19138983 0.87 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC3HDAC4
SCHEMBL17500299 0.87 HDAC6 (0.79) HDAC6HDAC2HDAC8HDAC3HDAC4

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-2019007836-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2019-01-10 — — WO disclosed
Send feedback