SCHEMBL31316822

SCHEMBL31316822

CNC(=O)c1ccc(I)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC2 Q92769 1/20 0.47
THRB P10828 1/20 0.45
PLAU P00749 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 5/20 0.43
GAA P10253 1/20 0.43
CA2 P00918 1/20 0.41
PDK2 Q15119 2/20 0.40
RPS6KA3 P51812 1/20 0.40

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
SCHEMBL5019978 1.00 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL30147734 0.82 CES2 (0.59) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL531941 0.82 CES2 (0.59) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL25690449 0.81 HDAC1 (0.44) HDAC6HDAC1HTTSMN1; SMN2GAA
SCHEMBL8515075 0.79 ESRRG (0.50) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL29306646 0.79 GAA (0.58) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL25690444 0.79 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL30147494 0.79 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL1441177 0.79 HDAC6 (0.73) HDAC6HDAC1HDAC8HDAC2THRB
SCHEMBL27909656 0.78 CES2 (0.46) HDAC6HDAC1HPGDTSHRHTT

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-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed