SCHEMBL4944968

SCHEMBL4944968

CCCn1c(=O)[nH]c(=O)n([SiH3])c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
APEX1 P27695 1/20 0.41
PDE4A P27815 6/20 0.39
ADORA2A P29274 6/20 0.39
PDE4B Q07343 6/20 0.39
PDE4C Q08493 6/20 0.39
PDE4D Q08499 6/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2B P29275 3/20 0.39
ADORA1 P30542 2/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17935736 0.85 APEX1 (0.54) SMN1; SMN2GLAMAPTAPEX1PDE4A
SCHEMBL29251516 0.76 MAPT (0.47) SMN1; SMN2GLAMAPTAPEX1PDE4A
SCHEMBL1560781 0.73 CYP3A4 (0.54) SMN1; SMN2GLAMAPTAPEX1PDE4A
SCHEMBL11637084 0.72 MAPT (0.53) MAPTAPEX1PDE4AADORA2APDE4B
SCHEMBL17935673 0.72 APEX1 (0.42) SMN1; SMN2GLAMAPTAPEX1PDE4A
SCHEMBL559878 0.72 MAPT (0.50) SMN1; SMN2GLAMAPTPDE4AADORA2A
SCHEMBL31098153 0.69 HTT (0.49) SMN1; SMN2MAPTAPEX1ADORA2BKDM4E
SCHEMBL27714037 0.69 HTT (0.49) SMN1; SMN2MAPTAPEX1ADORA2BKDM4E
SCHEMBL10946843 0.69 SMN1; SMN2 (0.55) SMN1; SMN2GLAMAPTAPEX1ADORA2A
SCHEMBL19784137 0.68 SMN1; SMN2 (0.39) SMN1; SMN2GLAMAPTPDE4AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530576-B1 HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS UNIV AUBURN (US) 2008-02-13 EP disclosed
US-20080003438-A1 Heterocyclic siloxanes for use in biocidal coatings and materials AUBURN UNIVERSITY (US) 2008-01-03 US disclosed
US-6969769-B2 N-halamine siloxanes for use in biocidal coatings and materials VANSON HALOSOURCE, INC. (US) 2005-11-29 US disclosed
EP-1530576-A2 HETEROCYCLIC HALAMINE-SUBSTITUTED SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS Auburn University (US) 2005-05-18 EP disclosed
US-20040127667-A1 N-halamine siloxanes for use in biocidal coatings and materials AUBURN UNIVERSITY 2004-07-01 US disclosed
WO-2003106466-A2 N-HALAMINE SILOXANES FOR USE IN BIOCIDAL COATINGS AND MATERIALS AUBURN UNIVERSITY (US) 2003-12-24 WO disclosed