SCHEMBL16748540

SCHEMBL16748540

O=C(/C=C/c1cccc2c(Sc3ccccc3)c[nH]c12)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 13/20 0.53
▸ HDAC6 Q9UBN7 12/20 0.53
▸ HDAC1 Q13547 11/20 0.53
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43
▸ TUBB6 Q9BUF5 1/20 0.43
▸ TUBB2B Q9BVA1 1/20 0.43
▸ TUBB1 Q9H4B7 1/20 0.43
▸ HDAC2 Q92769 8/20 0.42
▸ HDAC3 O15379 7/20 0.42

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
SCHEMBL2510567 0.75 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL2510569 0.75 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL14791716 0.75 HDAC1 (0.53) HDAC8HDAC6HDAC1TUBB4ATUBB
SCHEMBL16748457 0.75 HDAC1 (0.61) HDAC8HDAC6HDAC1TUBB4ATUBB
SCHEMBL14106948 0.69 HDAC8 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1306609 0.68 MEN1 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1306613 0.68 MEN1 (0.64) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL14609534 0.68 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2511476 0.65 HDAC6 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL1137630 0.65 PARP1 (0.51) —

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-2763673-B1 USE OF INDOLYL HYDROXAMATES FOR TREATING HEART FAILURE OR NEURONAL INJURY UNIV TAIPEI MEDICAL (TW) 2018-08-01 — — EP disclosed
WO-2015077685-A1 USE OF INDOLYL AND IDOLINYL HYDROXAMATES FOR TREATING NEURODEGENERATIVE DISORDERS OR COGNITIVE DEFICITS DCB-USA LLC (US) 2015-05-28 — — WO disclosed
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