SCHEMBL10123374

SCHEMBL10123374

CC(F)(F)C(C)(NC(=O)Nc1ccccc1OC(F)(F)F)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
EPHX2 P34913 1/20 0.48
P2RY1 P47900 3/20 0.47
IDH1 O75874 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
PLEC Q15149 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDH2 P48735 1/20 0.42
CXCR2 P25025 2/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL420795 0.94 GAA (0.65) GAAMAPTLMNAHTTEPHX2
SCHEMBL10123469 0.88 LMNA (0.54) GAAMAPTLMNAHTTEPHX2
SCHEMBL10123376 0.88 PDK1 (0.60) GAAMAPTLMNAHTTPDK1
SCHEMBL14850118 0.86 GAA (0.52) GAAMAPTLMNAHTTEPHX2
SCHEMBL418508 0.83 MAPT (0.60) GAAMAPTLMNAHTTP2RY1
SCHEMBL10123385 0.82 GAA (0.44) GAAMAPTLMNAHTTEPHX2
SCHEMBL420632 0.82 MAPT (0.67) GAAMAPTLMNAHTTPDK1
SCHEMBL13993362 0.82 GAA (0.63) GAAMAPTLMNAHTTP2RY1
SCHEMBL13993350 0.81 PYGL (0.53) GAAMAPTLMNAHTTEPHX2
SCHEMBL10123513 0.80 MAPT (0.64) GAAMAPTLMNAHTTPDK1

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
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
WO-2008147474-A2 SULFONYL SEMICARBAZIDES, CARBONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2008-12-04 WO disclosed