SCHEMBL2224718

SCHEMBL2224718

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.36
SCN9A Q15858 6/20 0.35
PDE4B Q07343 3/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
PDE4D Q08499 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL2224728 1.00 HDAC1 (0.38) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2224739 0.82 HDAC8 (0.39) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2265476 0.79 GAA (0.39) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2265468 0.79 GAA (0.39) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2223878 0.76 HDAC4 (0.37) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2223339 0.76 HDAC8 (0.43) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2222335 0.73 HDAC8 (0.44) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2221125 0.71 HDAC4 (0.38) HDAC1HDAC8HDAC6
SCHEMBL2224731 0.71 HDAC8 (0.38) HDAC1HDAC8HDAC6LMNASCN9A
SCHEMBL2224737 0.69 HDAC8 (0.40) HDAC1HDAC8HDAC6LMNAPDE4B

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-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed