SCHEMBL10123580

SCHEMBL10123580

CC(F)(F)C(C)(NC(=O)Nc1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
PLEC Q15149 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 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
SCHEMBL420196 0.94 HTT (0.56) HTTGAAMAPTLMNAKDM4E
SCHEMBL10123460 0.90 PDK1 (0.49) HTTGAAMAPTLMNAKDM4E
SCHEMBL420428 0.84 GAA (0.52) HTTGAAMAPTLMNAKDM4E
SCHEMBL10123505 0.83 HTT (0.64) HTTGAAMAPTLMNAKDM4E
SCHEMBL10123508 0.81 MAPT (0.47) HTTGAAMAPTLMNAKDM4E
SCHEMBL10123543 0.78 MEN1 (0.59) HTTGAAMAPTLMNAKDM4E
SCHEMBL10123470 0.78 MAPT (0.64) HTTGAAMAPTLMNAKDM4E
SCHEMBL13993349 0.76 HTT (0.44) HTTGAAMAPTLMNAKDM4E
SCHEMBL13743143 0.76 KMT2A (0.50) HTTKMT2AMEN1CA12CA1
SCHEMBL420418 0.76 HTT (0.55) HTTGAAMAPTLMNAKDM4E

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