SCHEMBL25560355

SCHEMBL25560355

Cc1nc(/C=C/C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP17A1 P05093 2/20 0.42
NAMPT P43490 1/20 0.42
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 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
SCHEMBL30370270 0.78 TUBB4A (0.70) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL25560329 0.78 TUBB4A (0.70) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL25560425 0.76 HDAC1 (0.44) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL25195142 0.74 HDAC3 (0.60) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL23761144 0.74 HDAC8 (0.55) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL7084615 0.72 MAPT (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL7084616 0.72 MAPT (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL12428094 0.72 MAPT (0.54) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL23761150 0.71 CYP3A4 (0.55) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL13055402 0.70 CYP17A1 (0.59) CYP17A1NAMPTPSMB8ALDH1A1L3MBTL1

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-2023081312-A1 SMALL MOLECULE INDUCERS OF AUTOPHAGY Vir Biotechnology, Inc. (US) 2023-05-11 WO disclosed