SCHEMBL2223408

SCHEMBL2223408

N#CCCCC(CC(N)=O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4D Q08499 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
LGMN Q99538 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2222441 0.78 HDAC4 (0.37) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2223402 0.76 LMNA (0.44) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2224739 0.73 HDAC8 (0.39) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2266329 0.72 GAA (0.40) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222405 0.71 HDAC1 (0.42) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2224731 0.70 HDAC8 (0.38) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222261 0.69 NPC1 (0.44) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2221808 0.69 HDAC8 (0.37) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2223339 0.67 HDAC8 (0.43) HDAC8HDAC1HDAC6LMNAPDE4B
SCHEMBL2222335 0.67 HDAC8 (0.44) HDAC8HDAC1HDAC6LMNAPDE4B

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