SCHEMBL8779330

SCHEMBL8779330

CC(=O)Oc1cc(CSc2nnc(N)s2)cc(OC(C)=O)c1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
LCK P06239 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL8779353 0.86 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779317 0.83 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779338 0.80 NPC1 (0.65) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779299 0.78 NPC1 (0.54) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779311 0.71 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779375 0.70 TOP1 (0.37) RAB9ANPC1SMN1; SMN2HTTMEN1
SCHEMBL14426475 0.68 LMNA (0.74) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL3547447 0.67 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL16150878 0.67 LCK (0.61) RAB9ANPC1SMN1; SMN2TSHRHTT
SCHEMBL8779275 0.66 NPC1 (0.62) RAB9ANPC1SMN1; SMN2TSHRHTT

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