SCHEMBL5565210

SCHEMBL5565210

Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(Cl)s2)s1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK14 Q16539 3/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 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
SCHEMBL5564738 0.88 F13A1 (0.48) MAPK14
SCHEMBL5568018 0.86 NPY5R (0.48) KMT2AMEN1TSHRHTT
SCHEMBL5568908 0.85 F13A1 (0.51) MAPK14
SCHEMBL5564570 0.85 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL27596142 0.85 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5568929 0.85 MAPK14 (0.40) KMT2AALDH1A1MAPK14MAPK13MAPK12
SCHEMBL5564554 0.85 F13A1 (0.52)
SCHEMBL14421713 0.84 NPY5R (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5564465 0.84 NPY5R (0.51) KMT2AMEN1TSHRHTT
SCHEMBL5568820 0.84 NPY5R (0.48) MAPK14MAPK13MAPK12MAPK11

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-1480976-B1 THIAZOLE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-09-19 EP claimed