SCHEMBL2224682

SCHEMBL2224682

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TP53 P04637 4/20 0.31
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
PTGS2 P35354 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
LGMN Q99538 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL2221808 0.84 HDAC8 (0.37) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL2224109 0.79 HDAC4 (0.40) HDAC1HDAC8HDAC6
SCHEMBL2224677 0.78 TP53 (0.35) MAOAMAOBHDAC1HDAC8HDAC6
SCHEMBL2271369 0.77 ALDH1A1 (0.36) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL2224672 0.73 MAOA (0.38) MAOAMAOBHDAC1HDAC8HDAC6
SCHEMBL2224093 0.73 HDAC8 (0.37) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL2274396 0.72 HDAC8 (0.41) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL2223392 0.71 HDAC1 (0.41) HDAC1HDAC8HDAC6POLBGAA
SCHEMBL2267220 0.71 HDAC8 (0.42) HDAC1HDAC8HDAC6GAAHPGD
SCHEMBL2222160 0.69 HDAC1 (0.41) HDAC1HDAC8HDAC6TP53SMN1; SMN2

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