SCHEMBL366116

SCHEMBL366116

NS(=O)(=O)Oc1cc(O)c2c(C(=O)O)c3ccccc3n2c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 8/20 0.41
STS P08842 8/20 0.40
EGFR P00533 1/20 0.38
AGTR1 P30556 3/20 0.38
CA12 O43570 3/20 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
SCHEMBL367390 0.86 AGTR1 (0.34) EGFRAGTR1
SCHEMBL366020 0.86 STS (0.41) CA1CA2CA9STSEGFR
SCHEMBL365213 0.80 PKM (0.39) EGFR
SCHEMBL367671 0.79 PSEN1 (0.39) EGFRAGTR1
SCHEMBL366821 0.79 AGTR1 (0.41) CA1CA2CA9EGFRAGTR1
SCHEMBL367245 0.78 EGFR (0.33) EGFR
SCHEMBL367256 0.78 EGFR (0.40) EGFRAGTR1
SCHEMBL365789 0.76 EGFR (0.41) EGFRAGTR1
SCHEMBL367409 0.75 EPHX1 (0.48)
SCHEMBL365023 0.73 EGFR (0.40) EGFRAGTR1

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed