SCHEMBL8779337

SCHEMBL8779337

Nc1nnc(SCc2ccc(O)c(O)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MIF P14174 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8779311 0.84 RAB9A (0.50) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8779275 0.83 NPC1 (0.62) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8779321 0.81 NPC1 (0.54) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL3913163 0.79 RAB9A (0.55) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL3909238 0.79 L3MBTL1 (0.69) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8177453 0.76 NPC1 (0.67) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8779332 0.76 NPC1 (0.63) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL8779333 0.76 ALDH1A1 (0.60) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL3906094 0.76 MAPK1 (0.62) NPC1RAB9ATSHRHTTSMN1; SMN2
SCHEMBL3902870 0.75 ALOX15 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP claimed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP claimed