SCHEMBL8947243

SCHEMBL8947243

O=C(O)c1nc(-c2cccc(F)c2)ns1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
KMO O15229 2/20 0.47
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
TRPM8 Q7Z2W7 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
DHODH Q02127 2/20 0.43
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41

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
SCHEMBL17960860 0.82 ADORA3 (0.54) SMN1; SMN2
SCHEMBL27508760 0.82 CYP19A1 (0.48) HSD17B1HSD17B2SMN1; SMN2AURKACSNK2A1
SCHEMBL8947213 0.81 LMNA (0.49) SMN1; SMN2FAAHNR4A2
SCHEMBL20501753 0.77 TP53 (0.51) SMN1; SMN2CSNK2A1GRK6
SCHEMBL8947073 0.76 TTR (0.46) KDM4EFAAHDHODHPIM1
SCHEMBL27651907 0.74 KIF11 (0.49) KMO
SCHEMBL8803518 0.74 KDM4E (0.42) PIN1HSD17B1HSD17B2KDM4EESR2
SCHEMBL3769512 0.74 KDM4E (0.42) HSD17B1HSD17B2KDM4EFAAH
SCHEMBL13002810 0.74 MGAM (0.44) HSD17B1HSD17B2TRPM8KDM4EFAAH
SCHEMBL19195986 0.74 HSD17B1 (0.54) HSD17B1HSD17B2SMN1; SMN2

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-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 EP disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed