SCHEMBL2224739

SCHEMBL2224739

N#CCC(CCC(O)c1coc(-c2ccc(F)cc2)n1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.36
SCN9A Q15858 5/20 0.35
PDE4B Q07343 3/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2222405 0.83 HDAC1 (0.42) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2224718 0.82 HDAC1 (0.38) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2224728 0.82 HDAC1 (0.38) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2224731 0.78 HDAC8 (0.38) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2223878 0.77 HDAC4 (0.37) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2223339 0.76 HDAC8 (0.43) HDAC8HDAC1HDAC6LMNASCN9A
SCHEMBL2224737 0.76 HDAC8 (0.40) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2223402 0.75 LMNA (0.44) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2266329 0.75 GAA (0.40) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222335 0.74 HDAC8 (0.44) HDAC8HDAC1HDAC6LMNASCN9A

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-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed