SCHEMBL2224672

SCHEMBL2224672

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDE4B Q07343 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 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
SCHEMBL2224682 0.73 MAOA (0.36) MAOAMAOBTP53SMN1; SMN2HDAC1
SCHEMBL2222160 0.73 HDAC1 (0.41) TP53SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL2223392 0.73 HDAC1 (0.41) HDAC1HDAC8HDAC6PDE4BHPGD
SCHEMBL2271369 0.72 ALDH1A1 (0.36) TP53SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL2224677 0.71 TP53 (0.35) MAOAMAOBTP53SMN1; SMN2HDAC1
SCHEMBL2223336 0.68 HDAC1 (0.43) TP53SMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL2224093 0.68 HDAC8 (0.37) HDAC1HDAC8HDAC6PDE4BHPGD
SCHEMBL2221808 0.67 HDAC8 (0.37) HDAC1HDAC8HDAC6PDE4BHPGD
SCHEMBL2222330 0.66 HDAC1 (0.46) MAOAMAOBHDAC1HDAC8HDAC6
SCHEMBL2267220 0.66 HDAC8 (0.42) HDAC1HDAC8HDAC6PDE4BHPGD

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