SCHEMBL6535352

SCHEMBL6535352

O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3ccccc3)cc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 14/20 0.68
▸ CASP7 P55210 8/20 0.67
▸ CASP9 P55211 4/20 0.67
▸ CASP1 P29466 4/20 0.67
▸ CASP2 P42575 3/20 0.67
▸ CASP6 P55212 3/20 0.67
▸ CASP4 P49662 2/20 0.67
▸ CASP8 Q14790 2/20 0.67
▸ USP2 O75604 1/20 0.56
▸ BRD4 O60885 1/20 0.56
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6535351 1.00 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535574 0.85 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535570 0.85 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092156 0.81 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092160 0.81 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL2709244 0.80 BRD4 (0.71) BRD4HCRTR1HCRTR2LMNAGAA
SCHEMBL6535653 0.80 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535700 0.80 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535651 0.80 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6536689 0.80 CASP3 (0.64) CASP3CASP7CASP9CASP1CASP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 — — EP claimed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP claimed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 — — WO claimed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 — — EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 — — EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 — — EP disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 — — WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 — — WO disclosed
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