SCHEMBL10123534

SCHEMBL10123534

C=C(NNc1cccc(F)c1)NC(C)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
P2RX7 Q99572 1/20 0.39
HTT P42858 3/20 0.38
S1PR3 Q99500 1/20 0.37
MTOR P42345 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
PLEC Q15149 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CLK1 P49759 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL10123461 0.84 MEN1 (0.38) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL10123569 0.83 ALDH1A1 (0.45) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL10123533 0.81 PDK1 (0.50) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL13993346 0.76 GAA (0.43) GAAPOLBALDH1A1NPSR1MEN1
SCHEMBL10123574 0.75 GAA (0.40) GAAALDH1A1HTTMAPTKDM4E
SCHEMBL10123572 0.75 KDM4E (0.42) GAAPOLBALDH1A1NPSR1HTT
SCHEMBL10123578 0.75 GAA (0.42) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL420864 0.74 MEN1 (0.65) GAAMEN1KMT2AHTTMTOR
SCHEMBL13993345 0.71 KDM4E (0.42) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL10123498 0.71 MAPT (0.46) GAAALDH1A1MEN1KMT2AHTT

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