SCHEMBL5564833

SCHEMBL5564833

CCC(C)(NC(=O)c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL5566530 0.81 F10 (0.46) ALDH1A1L3MBTL1MAPTF10HTT
SCHEMBL2423853 0.79 MAPK9 (0.54) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL4965751 0.73 SMN1; SMN2 (0.53) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL2428407 0.72 MAPK9 (0.53) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL6021743 0.71 POLB (0.50) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL5248869 0.71 L3MBTL1 (0.75) ALDH1A1LMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL5564830 0.69 L3MBTL1 (0.45) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL7435212 0.66 MAPK9 (0.48) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL2422959 0.66 MAPK9 (0.52) ALDH1A1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL2419998 0.66 MAPK9 (0.53) ALDH1A1LMNASMN1; SMN2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 — — EP disclosed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 — — WO disclosed
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