SCHEMBL7487907

SCHEMBL7487907

Nc1nnc(NCCNC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 9/20 0.41
F2 P00734 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PIK3CG P48736 1/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
SCHEMBL7490071 0.77 CA1 (0.43) HTTALDH1A1
SCHEMBL5174001 0.76 F2 (0.34) GLSF2HTTHSD17B10ALDH1A1
SCHEMBL10996830 0.73 ALDH1A1 (0.50) HTTHSD17B10ALDH1A1POLBMAPT
SCHEMBL5156822 0.73 NUDT1 (0.38) GLSF2HTTHSD17B10ALDH1A1
SCHEMBL10995617 0.72 SCN9A (0.36) GLSF2HTTHSD17B10ALDH1A1
SCHEMBL7490067 0.71 HTT (0.34) GLSF2HTTHSD17B10L3MBTL1
SCHEMBL7488715 0.69 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL10995308 0.68 POLB (0.44) HTTHSD17B10ALDH1A1PIK3CGPOLB
SCHEMBL10997136 0.68 THRB (0.34) HTTALDH1A1POLB
SCHEMBL5172686 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP claimed
EP-1064273-B1 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS UPJOHN CO (US) 2002-12-18 EP disclosed
EP-1064273-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2001-01-03 EP disclosed
US-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US disclosed
WO-1999047507-A2 1,3,4-THIADIAZOLES USEFUL FOR THE TREATMENT OF CMV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1999-09-23 WO disclosed