SCHEMBL5315879

SCHEMBL5315879

COCN(C(=O)Nc1ccc(SCC(F)(F)F)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
RAB9A P51151 6/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
SCN9A Q15858 1/20 0.31
DHODH Q02127 2/20 0.31
NR4A2 P43354 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5315021 0.87 HTT (0.37) HTTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5335591 0.86 HTT (0.34) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL5318469 0.86 SMN1; SMN2 (0.36) HTTRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL5314296 0.85 ALDH1A1 (0.35) HTTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL5316805 0.83 MEN1 (0.34) HTTPOLBDHODHMEN1KMT2A
SCHEMBL5313867 0.83 MAPT (0.38) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL5313291 0.83 SCN9A (0.44) HTTSMN1; SMN2KDM4EHPGDSCN9A
SCHEMBL5313356 0.80 KMT2A (0.38) RAB9ASMN1; SMN2KDM4EPOLBMEN1
SCHEMBL5315683 0.80 KMT2A (0.47) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL5314390 0.80 LMNA (0.36) RAB9ANPC1SMN1; SMN2POLBDHODH

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-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed