SCHEMBL10123384

SCHEMBL10123384

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
GAA P10253 3/20 0.67
THRB P10828 2/20 0.67
RECQL P46063 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
TP53 P04637 2/20 0.67
KDM4E B2RXH2 1/20 0.67
PLEC Q15149 1/20 0.67
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
HTT P42858 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
XBP1 P17861 1/20 0.57
ABCC9 O60706 2/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
KCNJ8 Q15842 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
SCHEMBL420071 0.93 MAPT (0.76) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL13993506 0.93 MAPT (0.61) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123511 0.87 MAPT (0.67) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123545 0.86 MAPT (0.65) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123584 0.86 MAPT (0.65) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123470 0.85 MAPT (0.64) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123543 0.82 MEN1 (0.59) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123506 0.82 EPHX2 (0.67) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL13234045 0.81 NPC1 (0.68) MAPTGAATHRBRECQLL3MBTL1
SCHEMBL10123512 0.81 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