SCHEMBL9852376

SCHEMBL9852376

O=C(Nc1nc(-c2ccccc2)ns1)C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
LMNA P02545 4/20 0.74
TP53 P04637 1/20 0.74
POLB P06746 1/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
ADORA3 P0DMS8 12/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 2/20 0.62
RXFP1 Q9HBX9 1/20 0.59
MAPT P10636 2/20 0.58
GFER P55789 1/20 0.58
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53

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
SCHEMBL9891525 0.85 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9852174 0.83 ADORA3 (0.77) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL29530821 0.80 ADORA3 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL20458189 0.80 ADORA3 (0.72) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL16254958 0.80 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL13717987 0.79 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL70743 0.78 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9891806 0.77 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9892914 0.77 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL10248489 0.75 ADORA3 (0.78) SMN1; SMN2NPC1RAB9ALMNATP53

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
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 EP disclosed