SCHEMBL24012219

SCHEMBL24012219

CC1c2c(c3ccccc3n2Cc2ccc(C(=O)OC(C)(C)C)cc2)CCN1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.51
▸ HDAC1 Q13547 11/20 0.51
▸ HDAC8 Q9BY41 6/20 0.49
▸ HDAC2 Q92769 5/20 0.49
▸ HDAC10 Q969S8 5/20 0.48
▸ HDAC3 O15379 2/20 0.48
▸ NCOR2 Q9Y618 2/20 0.48
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL20634793 0.83 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL20635518 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL20605426 0.82 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL19162216 0.81 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL28464322 0.79 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL20635520 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL20628955 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL19162037 0.76 HDAC6 (0.78) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL19138965 0.76 HDAC6 (0.78) HDAC6HDAC1HDAC8HDAC2HDAC10
Hydrochloric Acid SCHEMBL20605300 0.76 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC2HDAC10

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
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 — — EP disclosed
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