SCHEMBL8947225

SCHEMBL8947225

O=C(O)c1nsc(-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.41
ALOX5 P09917 1/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL14814299 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL8947158 0.84 ADORA3 (0.53) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL8340158 0.83 ADORA3 (0.54) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL28762430 0.82 MAPT (0.45) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL27651805 0.79 SCN10A (0.62) SCN10A
SCHEMBL8947147 0.75 NPC1 (0.43) SMN1; SMN2NPC1RAB9AHTTKDM4E
SCHEMBL15754791 0.72 ALDH1A1 (0.71) LMNAMMP1MMP2MMP9MMP13
SCHEMBL8947041 0.71 ALDH1A1 (0.57) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL30405141 0.71 GUSB (0.52) NPC1CA12
SCHEMBL25418457 0.71 ADORA3 (0.47) SMN1; SMN2NPC1RAB9AGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583092-A PLANT ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-12-10 US disclosed
CN-1134936-A Herbicidal (1,2,4) thiadiazoles AMERICAN CYANAMID CO (US) 1996-11-06 CN disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed
EP-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 EP disclosed