SCHEMBL10123372

SCHEMBL10123372

CC(F)(F)C(C)(NC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
HTT P42858 1/20 0.62
POLB P06746 4/20 0.56
MAPK1 P28482 1/20 0.55
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
THRB P10828 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL416564 0.94 GAA (0.70) GAALMNAMAPTHTTPOLB
SCHEMBL10123505 0.84 HTT (0.64) GAALMNAMAPTHTTPOLB
SCHEMBL10123513 0.84 MAPT (0.64) GAALMNAMAPTHTTPOLB
SCHEMBL13993357 0.82 MAPT (0.62) GAALMNAMAPTHTTMAPK1
SCHEMBL10123537 0.81 GAA (0.61) GAALMNAMAPTHTTPOLB
SCHEMBL10123581 0.80 MAPT (0.59) GAALMNAMAPTHTTPOLB
SCHEMBL10123376 0.80 PDK1 (0.60) GAALMNAMAPTHTTPOLB
SCHEMBL10123582 0.80 MAPT (0.59) GAALMNAMAPTHTTKDM4E
SCHEMBL10123459 0.79 LMNA (0.62) GAALMNAMAPTHTT
SCHEMBL10123374 0.79 GAA (0.58) GAALMNAMAPTHTTKDM4E

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