SCHEMBL30926421

SCHEMBL30926421

[2H]c1cc(N)c(NC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.42
HDAC1 Q13547 7/20 0.42
AAK1 Q2M2I8 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KCNQ4 P56696 4/20 0.40
KCNQ5 Q9NR82 4/20 0.40
CYP17A1 P05093 1/20 0.39
HDAC3 O15379 2/20 0.38
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
MAP4K4 O95819 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL826795 0.87 HDAC1 (0.50) HDAC2HDAC1AAK1RXFP1KCNQ4
SCHEMBL29549489 0.87 HDAC1 (0.50) HDAC2HDAC1AAK1RXFP1KCNQ4
SCHEMBL29581478 0.78 HDAC1 (0.55) HDAC2HDAC1AAK1KCNQ4KCNQ5
SCHEMBL197145 0.78 HDAC1 (0.55) HDAC2HDAC1AAK1KCNQ4KCNQ5
SCHEMBL25270239 0.78 AAK1 (0.48) HDAC2HDAC1AAK1KCNQ4KCNQ5
SCHEMBL3407965 0.78 HPGD (0.49) HDAC2HDAC1AAK1HDAC3LMNA
SCHEMBL197226 0.78 AAK1 (0.43) HDAC2HDAC1AAK1RXFP1KCNQ4
SCHEMBL2227781 0.78 AAK1 (0.48) HDAC2HDAC1AAK1RXFP1HDAC3
SCHEMBL29741562 0.78 HPGD (0.49) HDAC2HDAC1AAK1HDAC3LMNA
SCHEMBL20057682 0.77 AAK1 (0.47) HDAC2HDAC1AAK1RXFP1HDAC3

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-4631931-A1 HDAC INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2025-10-15 EP disclosed