SCHEMBL2586739

SCHEMBL2586739

C=CCOc1ccc(CC(NC(=O)c2noc3c2CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC3)c2ccco2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL2582295 0.78 GAA (0.42) GAAHTTSMN1; SMN2LMNAPPARG
SCHEMBL4261853 0.72 LMNA (0.48) GAAHTTSMN1; SMN2MAPTTHRB
SCHEMBL2579238 0.72 SMN1; SMN2 (0.42) GAAL3MBTL1SMN1; SMN2MAPTTHRB
SCHEMBL2589561 0.69 HSP90AA1 (0.38) GAAHTTL3MBTL1SMN1; SMN2LMNA
SCHEMBL2587146 0.69 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2578732 0.68 LMNA (0.44) GAAHTTSMN1; SMN2MAPTLMNA
SCHEMBL5533718 0.68 LMNA (0.46) GAAHTTL3MBTL1SMN1; SMN2MAPT
SCHEMBL2582296 0.66 CRHBP (0.44) GAAHTTMAPTTHRBLMNA
SCHEMBL2579176 0.64 SMN1; SMN2 (0.41) GAAHTTSMN1; SMN2MAPTLMNA
SCHEMBL629927 0.64 KCNQ1 (0.47) MAPT

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
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed