SCHEMBL5556342

SCHEMBL5556342

CC(NC(=O)Nc1cccc(S(C)(=O)=O)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
PLEC Q15149 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 3/20 0.48
IDH2 P48735 2/20 0.47
IDH1 O75874 1/20 0.47
XBP1 P17861 1/20 0.46

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
SCHEMBL420788 0.88 CA1 (0.64) HTTMEN1KMT2AMAPTCA1
SCHEMBL10123472 0.83 CA1 (0.62) HTTMEN1KMT2AMAPTCA1
SCHEMBL422173 0.80 KMT2A (0.65) HTTMEN1KMT2AMAPTGAA
SCHEMBL420864 0.80 MEN1 (0.65) HTTMEN1KMT2AMAPTGAA
SCHEMBL420623 0.79 KMT2A (0.66) HTTMEN1KMT2AMAPTGAA
SCHEMBL4004795 0.78 BAZ1A (0.64) HTTMEN1KMT2AMAPTGAA
SCHEMBL12049667 0.78 KMT2A (0.56) MEN1KMT2AMAPTCA1CA2
SCHEMBL420862 0.78 MAPT (0.73) HTTMEN1KMT2AMAPTGAA
SCHEMBL418319 0.77 PDK1 (0.65) HTTMEN1KMT2AMAPTGAA
SCHEMBL417881 0.76 PDK1 (0.66) HTTMEN1KMT2AMAPTGAA

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-1827446-A2 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2007-09-05 EP claimed
WO-2006062898-A2 COMPOUNDS AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES SIGA TECHNOLOGIES, INC. (US) 2006-06-15 WO claimed