SCHEMBL8263983

SCHEMBL8263983

CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3I)ccc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 16/20 0.67
▸ CASP7 P55210 16/20 0.67
▸ CASP1 P29466 2/20 0.49
▸ CASP6 P55212 1/20 0.49

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
SCHEMBL13925541 0.83 CASP3 (0.78) CASP3CASP7CASP1CASP6
SCHEMBL15029242 0.81 CASP3 (1.00) CASP3CASP7CASP1
SCHEMBL5184400 0.81 CASP3 (1.00) CASP3CASP7CASP1
SCHEMBL6535822 0.77 CASP3 (0.70) CASP3CASP7CASP1CASP6
SCHEMBL13925501 0.77 CASP3 (1.00) CASP3CASP7CASP1CASP6
SCHEMBL4156846 0.77 CASP3 (1.00) CASP3CASP7CASP1CASP6
SCHEMBL6535823 0.77 CASP3 (0.70) CASP3CASP7CASP1CASP6
SCHEMBL4156851 0.77 CASP3 (1.00) CASP3CASP7CASP1CASP6
SCHEMBL6535698 0.76 CASP3 (0.69) CASP3CASP7CASP1CASP6
SCHEMBL6535695 0.76 CASP3 (0.69) CASP3CASP7CASP1CASP6

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-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 — — WO disclosed
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