SCHEMBL4747655

SCHEMBL4747655

CC(C)CNC(=S)NNC(=O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
ALPL P05186 2/20 0.58
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 1/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 1/20 0.51
GPR139 Q6DWJ6 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL13981910 0.84 KMT2A (0.78) GAAKMT2AHSD17B10ALDH1A1MEN1
SCHEMBL4743368 0.83 GAA (0.62) GAASMN1; SMN2ALPLKMT2AHSD17B10
SCHEMBL4745522 0.83 MEN1 (0.59) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL8762392 0.80 LMNA (0.65) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15486152 0.74 NPC1 (0.59) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL14019207 0.74 SMN1; SMN2 (0.67) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL9430964 0.73 NPC1 (0.58) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL18193849 0.73 GAA (0.57) GAASMN1; SMN2KMT2AHSD17B10ALDH1A1
SCHEMBL8631029 0.73 NPC1 (0.58) GAASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3919648 0.73 KMT2A (0.60) GAASMN1; SMN2KMT2AHSD17B10ALDH1A1

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-2008107677-A2 THIADIAZOLE AND OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SENEXIS LIMITED (GB) 2008-09-12 WO disclosed