SCHEMBL24012162

SCHEMBL24012162

COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CN2CC(C1)C(=O)N(C)C2

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.75
▸ HDAC2 Q92769 7/20 0.75
▸ HDAC8 Q9BY41 7/20 0.75
▸ HDAC1 Q13547 4/20 0.61
▸ HDAC4 P56524 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48

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
SCHEMBL17520642 0.85 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL17500188 0.78 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL17520641 0.77 HDAC6 (0.85) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL12951762 0.76 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL24012180 0.75 HDAC6 (0.81) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL19138950 0.74 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL19166369 0.74 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL19167610 0.74 HDAC6 (0.86) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL17520534 0.74 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4
SCHEMBL19138927 0.74 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC4

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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