SCHEMBL5821059

SCHEMBL5821059

Cc1ccc(C#Cc2ccc(S(=O)(=O)NC(=O)Cc3cc(C)nn3-c3ccccc3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 10/20 0.47
MMP2 P08253 10/20 0.47
ALDH1A1 P00352 2/20 0.40
MMP3 P08254 2/20 0.40
MMP1 P03956 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
MMP25 Q9NPA2 1/20 0.40
MMP13 P45452 1/20 0.40
PTGES O14684 5/20 0.38
ALOX5 P09917 5/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5805117 0.81 ALDH1A1 (0.41) ALDH1A1PTGESALOX5KMT2AATM
SCHEMBL5807701 0.81 MEN1 (0.41) ALDH1A1KMT2AATML3MBTL1
SCHEMBL5808774 0.80 ALDH1A1 (0.59) ALDH1A1PTGESALOX5KMT2A
SCHEMBL5809123 0.78 NTRK1 (0.38) ALDH1A1KMT2AATML3MBTL1
SCHEMBL8264053 0.78 ALDH1A1 (0.38) ALDH1A1PTGESALOX5KMT2AATM
SCHEMBL5806376 0.78 NTRK1 (0.37) ALDH1A1KMT2AATML3MBTL1
SCHEMBL5804900 0.77 MAPK13 (0.47) ALDH1A1PTGESALOX5KMT2AL3MBTL1
SCHEMBL5806852 0.77 ALDH1A1 (0.50) ALDH1A1PTGESALOX5ATML3MBTL1
SCHEMBL5805188 0.76 ALDH1A1 (0.46) ALDH1A1PTGESALOX5ATML3MBTL1
SCHEMBL5809144 0.75 MAPT (0.46) ALDH1A1ATML3MBTL1

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 disclosed