SCHEMBL5808587

SCHEMBL5808587

CCCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(C)nn2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
KCNH2 Q12809 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 3/20 0.43
PTGES O14684 3/20 0.43
ALOX5 P09917 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
METAP2 P50579 1/20 0.42
POLB P06746 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 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 0.88 ALDH1A1 (0.50) HTTALDH1A1CACNA1GCACNA1HKCNH2
SCHEMBL5808774 0.87 ALDH1A1 (0.59) LMNAALDH1A1PTGESALOX5POLB
SCHEMBL5807982 0.85 PTGES (0.56) SMN1; SMN2ALDH1A1PTGESALOX5MAPK13
SCHEMBL5804909 0.83 HTR6 (0.52) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL5806836 0.83 POLB (0.51) LMNASMN1; SMN2ALDH1A1PTGESALOX5
SCHEMBL8551972 0.82 NTRK1 (0.58) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL5805188 0.82 ALDH1A1 (0.46) ALDH1A1PTGESALOX5TDP1POLB
SCHEMBL5820953 0.82 HTR6 (0.51) LMNAHTTALDH1A1MAPTPTGES
SCHEMBL5806408 0.81 MAPT (0.47) LMNATP53HTTSMN1; SMN2ALDH1A1
SCHEMBL5807053 0.80 PTGES (0.52) LMNATP53SMN1; SMN2ALDH1A1MAPT

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
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 claimed