SCHEMBL5806497

SCHEMBL5806497

CN(C)C=NS(=O)(=O)c1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
ALDH1A1 P00352 2/20 0.44
BCAT1 P54687 1/20 0.44
NPC1 O15118 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
APP P05067 1/20 0.39
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
FFAR1 O14842 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
GRM5 P41594 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
SCHEMBL5806490 1.00 LMNA (0.63) LMNAGAACA12CA1CA2
SCHEMBL4110091 0.86 LMNA (0.70) LMNAGAAALDH1A1BCAT1KMT2A
SCHEMBL4972178 0.86 LMNA (0.70) LMNAGAAALDH1A1BCAT1KMT2A
SCHEMBL8264035 0.83 LMNA (0.67) LMNAGAACA12CA1CA2
SCHEMBL5804502 0.79 LMNA (0.61) LMNAGAACA12CA1CA2
SCHEMBL5804505 0.79 LMNA (0.61) LMNAGAACA12CA1CA2
SCHEMBL29751607 0.78 GAA (1.00) LMNAGAACA12CA1CA2
SCHEMBL15761364 0.78 GAA (1.00) LMNAGAACA12CA1CA2
SCHEMBL5808036 0.77 LMNA (0.40) LMNAGAACA12CA1CA2
SCHEMBL5808038 0.77 LMNA (0.40) LMNAGAACA12CA1CA2

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