SCHEMBL20997497

SCHEMBL20997497

N#Cc1ccc(N)c(S(=O)(=O)CCO)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
RAD51 Q06609 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ELANE P08246 3/20 0.37
TRPV4 Q9HBA0 2/20 0.35
EPAS1 Q99814 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
STS P08842 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL20997500 0.82 TRPV4 (0.44) CA2RAD51TRPV4CA1
SCHEMBL20997498 0.81 ELANE (0.43) CA2RAD51CYP11B1CYP11B2ELANE
SCHEMBL124134 0.79 RAD51 (0.47) CA2RAD51CYP11B1CYP11B2ELANE
SCHEMBL1755156 0.78 RAD51 (0.44) CA2RAD51TRPV4CA1
SCHEMBL9877386 0.78 CA2 (0.54) CA2CA1
SCHEMBL9558916 0.77 CA2 (0.61) CA2
SCHEMBL3778124 0.76 CA1 (0.47) CA2RAD51TRPV4PTGES2STS
SCHEMBL8255487 0.75 RAD51 (0.44) CA2RAD51TRPV4EPAS1STS
SCHEMBL1014212 0.73 CA2 (0.58) CA2CA1
SCHEMBL9877593 0.72 CA2 (0.51) CA2CA1

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
EP-3174862-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2019-10-23 EP disclosed
EP-3174861-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2019-05-15 EP disclosed