SCHEMBL5044430

SCHEMBL5044430

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(O)C2CCCC2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 3/20 0.52
TSHR P16473 3/20 0.52
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.37
LMNA P02545 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
LOX P28300 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL1855668 0.85 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4021235 0.82 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1851100 0.81 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1854872 0.79 KMT2A (0.55) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4021233 0.78 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1856185 0.78 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4715407 0.77 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL5048888 0.77 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1853154 0.75 KMT2A (0.66) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL6719223 0.74 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed