SCHEMBL2589561

SCHEMBL2589561

CCCCC(CC)CNC(=O)c1noc2c1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.36
PPARG P37231 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1B Q00975 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4261853 0.79 LMNA (0.48) PKMSMN1; SMN2LMNAGAAPPARG
SCHEMBL2582295 0.78 GAA (0.42) SMN1; SMN2LMNAGAAPPARGHTT
SCHEMBL2578732 0.78 LMNA (0.44) SMN1; SMN2LMNAGAAPPARGHTT
SCHEMBL2579238 0.76 SMN1; SMN2 (0.42) HSP90AA1SMN1; SMN2GAAPPARGL3MBTL1
SCHEMBL5533718 0.74 LMNA (0.46) PKMSMN1; SMN2LMNAGAAPPARG
SCHEMBL2586012 0.73 MEN1 (0.47) HSP90AA1SMN1; SMN2LMNAHTTKMT2A
SCHEMBL2582296 0.71 CRHBP (0.44) LMNAGAAPPARGHTTKMT2A
SCHEMBL2585178 0.69 ALDH1A1 (0.47) SMN1; SMN2LMNAGAAHPGDKMT2A
SCHEMBL5527187 0.69 LMNA (0.43) PKMSMN1; SMN2LMNAGAAHTT
SCHEMBL2586739 0.69 GAA (0.39) SMN1; SMN2LMNAGAAPPARGHTT

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
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
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 disclosed