SCHEMBL5805191

SCHEMBL5805191

Cc1ccc(C#Cc2ccc(S(=O)(=O)/N=C/N(C)C)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MMP9 P14780 12/20 0.47
MMP2 P08253 12/20 0.47
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
MMP3 P08254 3/20 0.34
MMP1 P03956 2/20 0.34
MMP8 P22894 2/20 0.34
MMP14 P50281 2/20 0.34
MMP25 Q9NPA2 1/20 0.34
MMP13 P45452 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL5805194 1.00 LMNA (0.52) LMNAGAAMMP9MMP2CA12
SCHEMBL5808038 0.88 LMNA (0.40) LMNAGAAMMP9MMP2CA12
SCHEMBL5808036 0.88 LMNA (0.40) LMNAGAAMMP9MMP2CA12
SCHEMBL10649843 0.77 GAA (0.65) LMNAGAACA2ALDH1A1POLB
SCHEMBL5804845 0.76 CA2 (0.57) MMP9MMP2CA12CA2CA9
SCHEMBL2650730 0.71 LMNA (0.47) LMNAGAAALDH1A1
SCHEMBL2653000 0.71 LMNA (0.47) LMNAGAAALDH1A1
SCHEMBL15761364 0.70 GAA (1.00) LMNAGAACA12CA2CA9
SCHEMBL29751607 0.70 GAA (1.00) LMNAGAACA12CA2CA9
SCHEMBL3691573 0.67 MMP9 (0.61) MMP9MMP2MMP3MMP1MMP8

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