SCHEMBL2224677

SCHEMBL2224677

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALOX15 P16050 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 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 0.78 MAOA (0.36) TP53MAPTSMN1; SMN2LMNAHDAC1
SCHEMBL2271369 0.73 ALDH1A1 (0.36) TP53MAPTSMN1; SMN2LMNAHDAC1
SCHEMBL2224672 0.71 MAOA (0.38) TP53MAPTSMN1; SMN2LMNAHDAC1
SCHEMBL2221808 0.70 HDAC8 (0.37) LMNAHDAC1HDAC8HDAC6ALOX15
SCHEMBL2223392 0.69 HDAC1 (0.41) LMNAHDAC1HDAC8HDAC6GAA
SCHEMBL2222160 0.69 HDAC1 (0.41) TP53SMN1; SMN2LMNAHDAC1HDAC8
SCHEMBL2274396 0.68 HDAC8 (0.41) LMNAHDAC1HDAC8HDAC6ALOX15
SCHEMBL2224109 0.67 HDAC4 (0.40) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL2267220 0.67 HDAC8 (0.42) LMNAHDAC1HDAC8HDAC6ALOX15
SCHEMBL14672201 0.66 LMNA (0.39) TP53SMN1; SMN2LMNAHDAC1HDAC8

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