SCHEMBL20629265

SCHEMBL20629265

CN1CC2CN(Cc3c2c2ccccc2n3Cc2ccc(CNO)cc2)C1=O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.78
▸ HDAC2 Q92769 16/20 0.78
▸ HDAC8 Q9BY41 14/20 0.78
▸ HDAC3 O15379 3/20 0.56
▸ HDAC1 Q13547 3/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL17520643 0.88 HDAC6 (0.74) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520533 0.88 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520543 0.88 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520538 0.86 HDAC6 (0.81) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL19161111 0.82 HDAC6 (0.73) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL24011764 0.81 HDAC6 (0.60) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520445 0.80 HDAC6 (0.70) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL20629459 0.78 HDAC6 (0.78) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL17520537 0.77 HDAC6 (0.70) HDAC6HDAC2HDAC8HDAC3HDAC1
SCHEMBL20629476 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 — — EP disclosed
EP-3424925-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES Universität Regensburg (DE) 2019-01-09 — — EP disclosed
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