SCHEMBL31147895

SCHEMBL31147895

CC(C)(C)OC(=O)NCc1nc(C(C)(C)O)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
KDM4A O75164 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PDPK1 O15530 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
NAMPT P43490 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL4573058 0.90 HDAC3 (0.47) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL19370067 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL16020352 0.83 HDAC3 (0.48) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL215719 0.83 HDAC3 (0.51) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL18136859 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL22046576 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL17295921 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC6KDM4ACA12
SCHEMBL19370070 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC6KDM4AKDM4E
SCHEMBL1852466 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC6KDM4AKDM4E
SCHEMBL8041524 0.81 HDAC3 (0.47) HDAC3HDAC1HDAC6KDM4ACA12

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-4695240-A2 CYCLIC VINYL SULFONE WRN INHIBITORS Nimbus Wadjet, Inc. (US) 2026-02-18 EP disclosed
WO-2024215923-A2 CYCLIC VINYL SULFONE WRN INHIBITORS NIMBUS WADJET, INC. (US) 2024-10-17 WO disclosed