SCHEMBL10123508

SCHEMBL10123508

COc1cccc(OC)c1NC(=O)NC(C)(C(C)(F)F)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
PLEC Q15149 1/20 0.46
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.42
LPAR1 Q92633 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13993348 0.94 PDK1 (0.43) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL419955 0.94 MAPT (0.52) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123376 0.84 PDK1 (0.60) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123580 0.81 HTT (0.50) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123473 0.80 PDK1 (0.62) MAPTGAAHTTLMNATP53
SCHEMBL420632 0.78 MAPT (0.67) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123460 0.75 PDK1 (0.49) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123374 0.75 GAA (0.58) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL10123470 0.74 MAPT (0.64) MAPTGAAHTTLMNAL3MBTL1
SCHEMBL420196 0.74 HTT (0.56) MAPTGAAHTTLMNAL3MBTL1

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