SCHEMBL6536067

SCHEMBL6536067

C=CCNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 9/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
TGM2 P21980 5/20 0.45
CES1 P23141 3/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
CAPN9 O14815 1/20 0.42

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
SCHEMBL1091461 0.79 CA12 (0.55) CA12CA1CA2CA9TSHR
SCHEMBL14111818 0.78 CASP3 (0.54) CA12CA1CA2CA9TSHR
SCHEMBL1092244 0.77 MGAT2 (0.65) CA12CA1CA2CA9MAOA
SCHEMBL5894519 0.76 CA12 (0.63) CA12CA1CA2CA9CASP3
SCHEMBL14111831 0.76 ALDH1A1 (0.67) CA12CA1CA2CA9TSHR
SCHEMBL564534 0.75 MAOB (0.60) CA12CA1CA2CA9CASP3
SCHEMBL4906816 0.75 MAOA (0.60) TSHRMAPK1MAOAMAOB
SCHEMBL4411616 0.75 POLB (0.62) CA12CA1CA2CA9MAPK1
SCHEMBL14111824 0.75 SMN1; SMN2 (0.57) CA12CA1CA2CA9TSHR
SCHEMBL14111817 0.73 ALDH1A1 (0.52) CA12CA1CA2CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087663-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
US-6514992-B1 Excessive or inappropriate apoptosis in the neuronal cells occurs in Alzheimer disease and ischemia, T cells in HIV and cardiac myocytes during infarction/reperfusion; caspases inhibit apoptosis SMITHKLINE BEECHAM CORPORATION 2003-02-04 US 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
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1087663-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-04 EP disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999065451-A2 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-23 WO disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed