SCHEMBL5804909

SCHEMBL5804909

Cc1cc(CC(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 5/20 0.47
PTGES O14684 3/20 0.45
ALOX5 P09917 3/20 0.45
POLB P06746 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.43
GAA P10253 1/20 0.41
NTRK1 P04629 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL5806852 0.90 ALDH1A1 (0.50) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5808774 0.89 ALDH1A1 (0.59) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5807982 0.87 PTGES (0.56) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5806836 0.85 POLB (0.51) ALDH1A1PTGESALOX5POLBHPGD
SCHEMBL5805188 0.84 ALDH1A1 (0.46) ALDH1A1PTGESALOX5POLBNTRK1
SCHEMBL5820953 0.84 HTR6 (0.51) HTR6MAPK13MAPK12MAPK11MAPK14
SCHEMBL5806408 0.83 MAPT (0.47) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5808587 0.83 LMNA (0.45) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5807053 0.83 PTGES (0.52) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL5804879 0.82 PTGES (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed