SCHEMBL10123385

SCHEMBL10123385

Bc1ccc(NC(=O)NC(C)(C(C)(F)F)C(F)(F)F)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
PLEC Q15149 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 1/20 0.40
P2RY1 P47900 2/20 0.37
IDH1 O75874 2/20 0.37
PYGL P06737 2/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34

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
SCHEMBL13993350 0.84 PYGL (0.53) GAAMAPTHTTLMNAKDM4E
SCHEMBL10123382 0.83 HTT (0.49) GAAMAPTHTTLMNAKDM4E
SCHEMBL10123374 0.82 GAA (0.58) GAAMAPTHTTLMNAKDM4E
SCHEMBL13993505 0.80 IDH1 (0.52) GAAMAPTHTTLMNACNR2
SCHEMBL420393 0.80 IDH1 (0.52) GAAMAPTHTTLMNAKDM4E
SCHEMBL415787 0.79 PYGL (0.54) GAAMAPTHTTLMNAKDM4E
SCHEMBL10123509 0.77 HTT (0.46) GAAMAPTHTTLMNAKDM4E
SCHEMBL420795 0.77 GAA (0.65) GAAMAPTHTTLMNAKDM4E
SCHEMBL10123376 0.73 PDK1 (0.60) GAAMAPTHTTLMNAKDM4E
SCHEMBL10123469 0.72 LMNA (0.54) GAAMAPTHTTLMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012060820-A1 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2012-05-10 WO disclosed