SCHEMBL10123470

SCHEMBL10123470

CC(F)(F)C(C)(NC(=O)Nc1ccccc1)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
GAA P10253 3/20 0.64
TP53 P04637 2/20 0.64
THRB P10828 2/20 0.64
RECQL P46063 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
KDM4E B2RXH2 1/20 0.64
PLEC Q15149 1/20 0.64
HTT P42858 3/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
PDK1 Q15118 2/20 0.54
PDK2 Q15119 2/20 0.54
PDK3 Q15120 2/20 0.54
PDK4 Q16654 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
EPHX2 P34913 1/20 0.52

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
SCHEMBL420862 0.93 MAPT (0.73) MAPTGAATP53THRBRECQL
SCHEMBL10123384 0.85 MAPT (0.67) MAPTGAATP53THRBRECQL
SCHEMBL10123511 0.85 MAPT (0.67) MAPTGAATP53THRBRECQL
SCHEMBL10123545 0.84 MAPT (0.65) MAPTGAATP53THRBRECQL
SCHEMBL10123584 0.84 MAPT (0.65) MAPTGAATP53THRBRECQL
SCHEMBL10123510 0.83 KMT2A (0.59) MAPTGAATP53THRBRECQL
SCHEMBL10123543 0.83 MEN1 (0.59) MAPTGAATP53THRBRECQL
SCHEMBL10123507 0.82 MAPT (0.55) MAPTGAATP53THRBRECQL
SCHEMBL13993503 0.82 KMT2A (0.62) MAPTGAATP53KDM4EHTT
SCHEMBL10123506 0.80 EPHX2 (0.67) MAPTGAATP53THRBRECQL

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