SCHEMBL5552252

SCHEMBL5552252

CC1CCN(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
EPHX2 P34913 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL418512 0.79 CA12 (0.48) KMT2AMEN1GAAHSD17B10HTT
SCHEMBL420261 0.76 SLC18A3 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL27092232 0.71 ALDH1A1 (0.44) KMT2AMEN1NPC1ALDH1A1GAA
SCHEMBL27349219 0.70 CTSK (0.41) KMT2AMEN1ALDH1A1GAA
SCHEMBL15014600 0.70 ALDH1A1 (0.39) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL419262 0.69 MAPK1 (0.51) KMT2AMEN1ALDH1A1GAANPSR1
SCHEMBL6216368 0.67 ALDH1A1 (0.44) KMT2AMEN1NPC1ALDH1A1NPSR1
SCHEMBL14991991 0.66 CA2 (0.38) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL23581928 0.66 SMN1; SMN2 (0.36) KMT2AMEN1NPC1ALDH1A1POLB
SCHEMBL10122345 0.66 LMNA (0.47) KMT2AMEN1NPC1RAB9AALDH1A1

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
EP-1827446-A2 SULFONYL SEMICARBAZIDES, SEMICARBAZIDES AND UREAS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES, INCLUDING INFECTIONS ASSOCIATED WITH ARENAVIRUSES SIGA TECHNOLOGIES, INC. (US) 2007-09-05 EP claimed
WO-2006062898-A2 COMPOUNDS AND METHODS FOR TREATING HEMORRHAGIC FEVER VIRUSES SIGA TECHNOLOGIES, INC. (US) 2006-06-15 WO claimed