SCHEMBL10123545

SCHEMBL10123545

CC(F)(F)C(C)(NC(=O)Nc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GAA P10253 3/20 0.65
THRB P10828 2/20 0.65
RECQL P46063 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
KDM4E B2RXH2 1/20 0.65
TP53 P04637 1/20 0.65
PLEC Q15149 1/20 0.65
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.53
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
SCHEMBL13993358 0.94 MAPT (0.59) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL420005 0.94 MAPT (0.73) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123511 0.86 MAPT (0.67) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123384 0.86 MAPT (0.67) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123584 0.84 MAPT (0.65) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123470 0.84 MAPT (0.64) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123506 0.81 EPHX2 (0.67) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL2704531 0.80 ALDH1A1 (0.58) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL15946354 0.80 NPC1 (0.68) MAPTGAAKDM4ETP53PDK1
SCHEMBL10123512 0.80 ABCC9 (0.60) MAPTGAATHRBRECQLL3MBTL1

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