SCHEMBL10123581

SCHEMBL10123581

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
KDM4E B2RXH2 10/20 0.51
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 2/20 0.48
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
PLEC Q15149 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK14 Q16539 1/20 0.45

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
SCHEMBL421241 0.94 MAPT (0.67) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123537 0.87 GAA (0.61) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123513 0.81 MAPT (0.64) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123505 0.81 HTT (0.64) MAPTLMNAGAAHTTKDM4E
SCHEMBL422150 0.81 GAA (0.68) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123372 0.80 GAA (0.62) MAPTLMNAGAAHTTKDM4E
SCHEMBL13993357 0.80 MAPT (0.62) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123459 0.80 LMNA (0.62) MAPTLMNAGAAHTT
SCHEMBL13993305 0.79 HTT (0.65) MAPTLMNAGAAHTTKDM4E
SCHEMBL10123582 0.78 MAPT (0.59) MAPTLMNAGAAHTTKDM4E

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