SCHEMBL7141187

SCHEMBL7141187

Cc1ccc(S(=O)(=O)OSc2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
DNMT1 P26358 1/20 0.41
GAA P10253 3/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
VDR P11473 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL23241350 0.88 DNMT1 (0.52) KMT2ALMNASMN1; SMN2HTTALDH1A1
SCHEMBL4399474 0.79 ACHE (0.50) KMT2ALMNAALDH1A1DNMT1MEN1
SCHEMBL14894834 0.78 BCHE (0.49) KMT2ANPC1LMNASMN1; SMN2HTT
SCHEMBL7141184 0.74 ALDH1A1 (0.39) KMT2ALMNASMN1; SMN2HTTPTGS2
SCHEMBL9435856 0.74 GAA (0.52) KMT2ALMNASMN1; SMN2HTTALDH1A1
SCHEMBL6937180 0.74 KMT2A (0.55) KMT2ANPC1LMNASMN1; SMN2HTT
SCHEMBL7140573 0.73 ALDH1A1 (0.49) KMT2ANPC1LMNASMN1; SMN2HTT
SCHEMBL11587905 0.72 GAA (0.50) KMT2ALMNASMN1; SMN2HTTALDH1A1
SCHEMBL7102153 0.71 RAPGEF4 (0.53) KMT2ADNMT1GAAVDRCA12
SCHEMBL10605735 0.70 GAA (0.73) KMT2ANPC1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086124-B1 NOVEL CYCLOSPORINS CHEM AG C (CH) 2003-11-19 EP disclosed
US-6583265-B1 Compound for use in the prevention of viral and bacterial infections C-CHEM AG (CH) 2003-06-24 US disclosed
EP-1086124-A1 NOVEL CYCLOSPORINS C-Chem AG (CH) 2001-03-28 EP disclosed
WO-1999065933-A1 NOVEL CYCLOSPORINS C-CHEM AG (CH) 1999-12-23 WO disclosed