SCHEMBL4695915

SCHEMBL4695915

Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@]2(I)CC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
BDKRB1 P46663 7/20 0.44
MMP13 P45452 1/20 0.42
TP53 P04637 1/20 0.42
GPR119 Q8TDV5 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4695873 0.83 MMP13 (0.40) EPHX2MMP13TP53GPR119KMT2A
SCHEMBL4180773 0.79 BDKRB1 (0.72) BDKRB1
SCHEMBL2961651 0.69 MMP13 (0.62) EPHX2MMP13GPR119KMT2AMEN1
SCHEMBL4172644 0.69 BDKRB1 (0.57) BDKRB1
SCHEMBL4173494 0.69 BDKRB1 (0.74) BDKRB1
SCHEMBL4699666 0.69 BDKRB1 (0.74) BDKRB1
SCHEMBL4173491 0.69 BDKRB1 (0.74) BDKRB1
SCHEMBL216692 0.69 GPR119 (0.58) MMP13TP53GPR119KMT2AMEN1
SCHEMBL10265584 0.68 GPR119 (0.57) EPHX2MMP13TP53GPR119KMT2A
SCHEMBL23012558 0.68 MMP13 (0.63) EPHX2MMP13GPR119KMT2AMEN1

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-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO disclosed